4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

C13H13N5OS — CID 136771835

IUPAC4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(-c3cnn(C)c3)cc(=O)[nH]2)cs1
InChIInChI=1S/C13H13N5OS/c1-8-15-10(7-20-8)3-12-16-11(4-13(19)17-12)9-5-14-18(2)6-9/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyQGASLZLJGHMMLN-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.53
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 136771835) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID136771835
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(Cc2nc(-c3cnn(C)c3)cc(=O)[nH]2)cs1
InChIInChI=1S/C13H13N5OS/c1-8-15-10(7-20-8)3-12-16-11(4-13(19)17-12)9-5-14-18(2)6-9/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyQGASLZLJGHMMLN-UHFFFAOYSA-N
XLogP1.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (CID 136771835) is 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is Cc1nc(Cc2nc(-c3cnn(C)c3)cc(=O)[nH]2)cs1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is QGASLZLJGHMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-15-10(7-20-8)3-12-16-11(4-13(19)17-12)9-5-14-18(2)6-9/h4-7H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 287.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136771835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).