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

C18H18N6OS — CID 91961792

IUPAC2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(NCc2csc(-c3ccccc3)n2)c2c(n1)NC(C)C(=O)N2
InChIInChI=1S/C18H18N6OS/c1-10-17(25)24-14-15(21-11(2)22-16(14)20-10)19-8-13-9-26-18(23-13)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,24,25)(H2,19,20,21,22)
InChIKeyHQNZZZADNAROSE-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.27
Rot. Bonds4

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

2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961792) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961792
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(NCc2csc(-c3ccccc3)n2)c2c(n1)NC(C)C(=O)N2
InChIInChI=1S/C18H18N6OS/c1-10-17(25)24-14-15(21-11(2)22-16(14)20-10)19-8-13-9-26-18(23-13)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,24,25)(H2,19,20,21,22)
InChIKeyHQNZZZADNAROSE-UHFFFAOYSA-N
XLogP3.27
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one (CID 91961792) is 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one is Cc1nc(NCc2csc(-c3ccccc3)n2)c2c(n1)NC(C)C(=O)N2.
What is the InChIKey of 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is HQNZZZADNAROSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-10-17(25)24-14-15(21-11(2)22-16(14)20-10)19-8-13-9-26-18(23-13)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,24,25)(H2,19,20,21,22).
What are the key properties of 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one?
2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 366.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).