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

C11H12N6OS — CID 91961568

IUPAC7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2ncnc3c2NC(=O)C(C)N3)n1
InChIInChI=1S/C11H12N6OS/c1-5-3-19-11(14-5)17-9-7-8(12-4-13-9)15-6(2)10(18)16-7/h3-4,6H,1-2H3,(H,16,18)(H2,12,13,14,15,17)
InChIKeySZWXJLKAVQVSTE-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.74
Rot. Bonds2

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

7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961568) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961568
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1csc(Nc2ncnc3c2NC(=O)C(C)N3)n1
InChIInChI=1S/C11H12N6OS/c1-5-3-19-11(14-5)17-9-7-8(12-4-13-9)15-6(2)10(18)16-7/h3-4,6H,1-2H3,(H,16,18)(H2,12,13,14,15,17)
InChIKeySZWXJLKAVQVSTE-UHFFFAOYSA-N
XLogP1.74
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (CID 91961568) is 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is Cc1csc(Nc2ncnc3c2NC(=O)C(C)N3)n1.
What is the InChIKey of 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is SZWXJLKAVQVSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-5-3-19-11(14-5)17-9-7-8(12-4-13-9)15-6(2)10(18)16-7/h3-4,6H,1-2H3,(H,16,18)(H2,12,13,14,15,17).
What are the key properties of 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 276.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).