(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one

C12H19N5O — CID 166645151

IUPAC(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCNc1nc(C)c2c(n1)N(C)C(C(C)C)C(=O)N2
InChIInChI=1S/C12H19N5O/c1-6(2)9-11(18)15-8-7(3)14-12(13-4)16-10(8)17(9)5/h6,9H,1-5H3,(H,15,18)(H,13,14,16)
InChIKeyYCQAWRQBHWYSII-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.24
Rot. Bonds2

About (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one

(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one (PubChem CID 166645151) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one
PubChem CID166645151
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCNc1nc(C)c2c(n1)N(C)C(C(C)C)C(=O)N2
InChIInChI=1S/C12H19N5O/c1-6(2)9-11(18)15-8-7(3)14-12(13-4)16-10(8)17(9)5/h6,9H,1-5H3,(H,15,18)(H,13,14,16)
InChIKeyYCQAWRQBHWYSII-UHFFFAOYSA-N
XLogP1.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one (CID 166645151) is (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one is CNc1nc(C)c2c(n1)N(C)C(C(C)C)C(=O)N2.
What is the InChIKey of (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one?
The InChIKey is YCQAWRQBHWYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-6(2)9-11(18)15-8-7(3)14-12(13-4)16-10(8)17(9)5/h6,9H,1-5H3,(H,15,18)(H,13,14,16).
What are the key properties of (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one?
(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one has a molecular weight of 249.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 166645151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).