2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one

C64H70IN28O17S4+ — CID 158694604

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2cn[nH][n+]2C)[nH]c1=O.COc1c(C)nc(-c2cnn(C)n2)[nH]c1=O.COc1c(C)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(C)nc(-c2nnn(C)n2)[nH]c1=O.COc1c(O)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(O)nc(-c2nc(C3CC3)cs2)[nH]c1=O.COc1c(O)nc(-c2ncc(I)s2)[nH]c1=O
InChIInChI=1S/C11H11N3O3S.C10H11N3O2S.2C9H11N5O2.C9H9N3O3S.C8H6IN3O3S.C8H10N6O2/c1-17-7-9(15)13-8(14-10(7)16)11-12-6(4-18-11)5-2-3-5;1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8;1-5-7(16-3)9(15)12-8(11-5)6-4-10-13-14(6)2;1-5-7(16-3)9(15)12-8(11-5)6-4-10-14(2)13-6;1-4-3-16-9(10-4)6-11-7(13)5(15-2)8(14)12-6;1-15-4-6(13)11-5(12-7(4)14)8-10-2-3(9)16-8;1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h4-5H,2-3H2,1H3,(H2,13,14,15,16);4H,1-3H3,(H,12,13,14);2*4H,1-3H3,(H,11,12,15);3H,1-2H3,(H2,11,12,13,14);2H,1H3,(H2,11,12,13,14);1-3H3,(H,9,10,15)/p+1
InChIKeyFHDFHTAGNPCRCO-UHFFFAOYSA-O
MW1758.61 g/mol
LogP3.59
Rot. Bonds15

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one

2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 158694604) has the molecular formula C64H70IN28O17S4+ and a molecular weight of 1758.61 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one
PubChem CID158694604
Molecular FormulaC64H70IN28O17S4+
Molecular Weight1758.61 g/mol
Exact Mass1757.34
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2cn[nH][n+]2C)[nH]c1=O.COc1c(C)nc(-c2cnn(C)n2)[nH]c1=O.COc1c(C)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(C)nc(-c2nnn(C)n2)[nH]c1=O.COc1c(O)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(O)nc(-c2nc(C3CC3)cs2)[nH]c1=O.COc1c(O)nc(-c2ncc(I)s2)[nH]c1=O
InChIInChI=1S/C11H11N3O3S.C10H11N3O2S.2C9H11N5O2.C9H9N3O3S.C8H6IN3O3S.C8H10N6O2/c1-17-7-9(15)13-8(14-10(7)16)11-12-6(4-18-11)5-2-3-5;1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8;1-5-7(16-3)9(15)12-8(11-5)6-4-10-13-14(6)2;1-5-7(16-3)9(15)12-8(11-5)6-4-10-14(2)13-6;1-4-3-16-9(10-4)6-11-7(13)5(15-2)8(14)12-6;1-15-4-6(13)11-5(12-7(4)14)8-10-2-3(9)16-8;1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h4-5H,2-3H2,1H3,(H2,13,14,15,16);4H,1-3H3,(H,12,13,14);2*4H,1-3H3,(H,11,12,15);3H,1-2H3,(H2,11,12,13,14);2H,1H3,(H2,11,12,13,14);1-3H3,(H,9,10,15)/p+1
InChIKeyFHDFHTAGNPCRCO-UHFFFAOYSA-O
XLogP3.59
TPSA603.98 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.61
LogP ≤ 53.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one (CID 158694604) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one is COc1c(C)nc(-c2cn[nH][n+]2C)[nH]c1=O.COc1c(C)nc(-c2cnn(C)n2)[nH]c1=O.COc1c(C)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(C)nc(-c2nnn(C)n2)[nH]c1=O.COc1c(O)nc(-c2nc(C)cs2)[nH]c1=O.COc1c(O)nc(-c2nc(C3CC3)cs2)[nH]c1=O.COc1c(O)nc(-c2ncc(I)s2)[nH]c1=O.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is FHDFHTAGNPCRCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11N3O3S.C10H11N3O2S.2C9H11N5O2.C9H9N3O3S.C8H6IN3O3S.C8H10N6O2/c1-17-7-9(15)13-8(14-10(7)16)11-12-6(4-18-11)5-2-3-5;1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8;1-5-7(16-3)9(15)12-8(11-5)6-4-10-13-14(6)2;1-5-7(16-3)9(15)12-8(11-5)6-4-10-14(2)13-6;1-4-3-16-9(10-4)6-11-7(13)5(15-2)8(14)12-6;1-15-4-6(13)11-5(12-7(4)14)8-10-2-3(9)16-8;1-4-5(16-3)8(15)10-6(9-4)7-11-13-14(2)12-7/h4-5H,2-3H2,1H3,(H2,13,14,15,16);4H,1-3H3,(H,12,13,14);2*4H,1-3H3,(H,11,12,15);3H,1-2H3,(H2,11,12,13,14);2H,1H3,(H2,11,12,13,14);1-3H3,(H,9,10,15)/p+1.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 1758.61 g/mol, XLogP of 3.59, 15 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 158694604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).