3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

C20H22N6O — CID 25005629

IUPAC3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(c2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyMXORTFNDXYFZRN-OAHLLOKOSA-N
MW362.44 g/mol
LogP1.95
Rot. Bonds3

About 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005629) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005629
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(c2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyMXORTFNDXYFZRN-OAHLLOKOSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005629) is 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is C[C@@H]1CN(c2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is MXORTFNDXYFZRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 362.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).