(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone

C23H24N4O — CID 112853073

IUPAC(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)23(28)20-16-21(24-19-10-6-3-7-11-19)26-22(25-20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeyJPASZCPIGZDNQD-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.76
Rot. Bonds4

About (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone

(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 112853073) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID112853073
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)23(28)20-16-21(24-19-10-6-3-7-11-19)26-22(25-20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeyJPASZCPIGZDNQD-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852780
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112852804
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
3-[[2-phenyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 112852979

Frequently Asked Questions

What is the IUPAC name of (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 112853073) is (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JPASZCPIGZDNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)23(28)20-16-21(24-19-10-6-3-7-11-19)26-22(25-20)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,25,26).
What are the key properties of (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone?
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112853073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).