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

C12H14N6OS — CID 91961552

IUPAC7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1ncc(CNc2ncnc3c2NC(=O)C(C)N3)s1
InChIInChI=1S/C12H14N6OS/c1-6-12(19)18-9-10(15-5-16-11(9)17-6)14-4-8-3-13-7(2)20-8/h3,5-6H,4H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyZJFRJQLTDHAICQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.61
Rot. Bonds3

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

7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961552) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961552
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1ncc(CNc2ncnc3c2NC(=O)C(C)N3)s1
InChIInChI=1S/C12H14N6OS/c1-6-12(19)18-9-10(15-5-16-11(9)17-6)14-4-8-3-13-7(2)20-8/h3,5-6H,4H2,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeyZJFRJQLTDHAICQ-UHFFFAOYSA-N
XLogP1.61
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one (CID 91961552) is 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one is Cc1ncc(CNc2ncnc3c2NC(=O)C(C)N3)s1.
What is the InChIKey of 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is ZJFRJQLTDHAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-6-12(19)18-9-10(15-5-16-11(9)17-6)14-4-8-3-13-7(2)20-8/h3,5-6H,4H2,1-2H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 290.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).