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

C15H20N6OS — CID 91961989

IUPAC2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2ncc(C)s2)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C15H20N6OS/c1-7(2)5-10-14(22)20-11-12(19-10)17-9(4)18-13(11)21-15-16-6-8(3)23-15/h6-7,10H,5H2,1-4H3,(H,20,22)(H2,16,17,18,19,21)
InChIKeyQZISCJOCGAQPFP-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.07
Rot. Bonds4

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

2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961989) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961989
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2ncc(C)s2)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C15H20N6OS/c1-7(2)5-10-14(22)20-11-12(19-10)17-9(4)18-13(11)21-15-16-6-8(3)23-15/h6-7,10H,5H2,1-4H3,(H,20,22)(H2,16,17,18,19,21)
InChIKeyQZISCJOCGAQPFP-UHFFFAOYSA-N
XLogP3.07
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one (CID 91961989) is 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is Cc1nc(Nc2ncc(C)s2)c2c(n1)NC(CC(C)C)C(=O)N2.
What is the InChIKey of 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is QZISCJOCGAQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-7(2)5-10-14(22)20-11-12(19-10)17-9(4)18-13(11)21-15-16-6-8(3)23-15/h6-7,10H,5H2,1-4H3,(H,20,22)(H2,16,17,18,19,21).
What are the key properties of 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one?
2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 332.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).