4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

C13H16N6OS — CID 91961630

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)n1
InChIInChI=1S/C13H16N6OS/c1-6(2)8-12(20)18-9-10(17-8)14-5-15-11(9)19-13-16-7(3)4-21-13/h4-6,8H,1-3H3,(H,18,20)(H2,14,15,16,17,19)
InChIKeyOVIVGDGRDLAHEZ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.37
Rot. Bonds3

About 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961630) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961630
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)n1
InChIInChI=1S/C13H16N6OS/c1-6(2)8-12(20)18-9-10(17-8)14-5-15-11(9)19-13-16-7(3)4-21-13/h4-6,8H,1-3H3,(H,18,20)(H2,14,15,16,17,19)
InChIKeyOVIVGDGRDLAHEZ-UHFFFAOYSA-N
XLogP2.37
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (CID 91961630) is 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is Cc1csc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is OVIVGDGRDLAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-6(2)8-12(20)18-9-10(17-8)14-5-15-11(9)19-13-16-7(3)4-21-13/h4-6,8H,1-3H3,(H,18,20)(H2,14,15,16,17,19).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 304.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).