3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one

C15H19N5O — CID 25004926

IUPAC3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESC[C@H]1CNCCN1c1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C15H19N5O/c1-11-10-17-7-8-20(11)15-18-13(9-14(21)19(15)2)12-3-5-16-6-4-12/h3-6,9,11,17H,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyAYXKLARBVCNTRD-NSHDSACASA-N
MW285.35 g/mol
LogP0.64
Rot. Bonds2

About 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 25004926) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID25004926
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESC[C@H]1CNCCN1c1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C15H19N5O/c1-11-10-17-7-8-20(11)15-18-13(9-14(21)19(15)2)12-3-5-16-6-4-12/h3-6,9,11,17H,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyAYXKLARBVCNTRD-NSHDSACASA-N
XLogP0.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 25004926) is 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one is C[C@H]1CNCCN1c1nc(-c2ccncc2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is AYXKLARBVCNTRD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-10-17-7-8-20(11)15-18-13(9-14(21)19(15)2)12-3-5-16-6-4-12/h3-6,9,11,17H,7-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25004926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).