[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109352129

IUPAC[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-21-15-20(24-16-25-21)23(29)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyOFDHYBUKWYRKHE-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109352129) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109352129
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-21-15-20(24-16-25-21)23(29)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyOFDHYBUKWYRKHE-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109353009
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[6-(2,3-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345153
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
[6-(3-methylbutylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352932
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109352129) is [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cccc(C)c1Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is OFDHYBUKWYRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-21-15-20(24-16-25-21)23(29)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109352129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).