(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one

C11H17N5O — CID 39794145

IUPAC(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one
SMILESCc1cc(N2CCN(C)C(=O)[C@@H]2C)nc(N)n1
InChIInChI=1S/C11H17N5O/c1-7-6-9(14-11(12)13-7)16-5-4-15(3)10(17)8(16)2/h6,8H,4-5H2,1-3H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyDVXXBHDTBOMLJO-QMMMGPOBSA-N
MW235.29 g/mol
LogP0.03
Rot. Bonds1

About (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one

(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one (PubChem CID 39794145) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one
PubChem CID39794145
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one
SMILESCc1cc(N2CCN(C)C(=O)[C@@H]2C)nc(N)n1
InChIInChI=1S/C11H17N5O/c1-7-6-9(14-11(12)13-7)16-5-4-15(3)10(17)8(16)2/h6,8H,4-5H2,1-3H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyDVXXBHDTBOMLJO-QMMMGPOBSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one?
The IUPAC name of (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one (CID 39794145) is (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one?
The canonical SMILES for (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one is Cc1cc(N2CCN(C)C(=O)[C@@H]2C)nc(N)n1.
What is the InChIKey of (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one?
The InChIKey is DVXXBHDTBOMLJO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-6-9(14-11(12)13-7)16-5-4-15(3)10(17)8(16)2/h6,8H,4-5H2,1-3H3,(H2,12,13,14)/t8-/m0/s1.
What are the key properties of (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one?
(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 39794145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).