2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C15H20N6O — CID 25005268

IUPAC2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@H]1CN(C)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C15H20N6O/c1-11-9-19(2)6-7-21(11)15-18-13(8-14(22)20(15)3)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyCMNDKWKCXCSRGN-NSHDSACASA-N
MW300.37 g/mol
LogP0.38
Rot. Bonds2

About 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005268) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005268
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@H]1CN(C)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C15H20N6O/c1-11-9-19(2)6-7-21(11)15-18-13(8-14(22)20(15)3)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyCMNDKWKCXCSRGN-NSHDSACASA-N
XLogP0.38
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005268) is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is C[C@H]1CN(C)CCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is CMNDKWKCXCSRGN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-9-19(2)6-7-21(11)15-18-13(8-14(22)20(15)3)12-4-5-16-10-17-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 300.37 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).