1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone

C24H26N4O — CID 112938033

IUPAC1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-7-6-14-28(16-17)23-15-22(20-8-4-3-5-9-20)26-24(27-23)25-21-12-10-19(11-13-21)18(2)29/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,25,26,27)
InChIKeyDLRYAWXIUQYYBZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds5

About 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone

1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 112938033) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID112938033
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C24H26N4O/c1-17-7-6-14-28(16-17)23-15-22(20-8-4-3-5-9-20)26-24(27-23)25-21-12-10-19(11-13-21)18(2)29/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,25,26,27)
InChIKeyDLRYAWXIUQYYBZ-UHFFFAOYSA-N
XLogP5.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
1-[4-[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 11517478
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112937177
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
1-[4-[[4-phenyl-6-(propan-2-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112932746
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone (CID 112938033) is 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is DLRYAWXIUQYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-7-6-14-28(16-17)23-15-22(20-8-4-3-5-9-20)26-24(27-23)25-21-12-10-19(11-13-21)18(2)29/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,25,26,27).
What are the key properties of 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112938033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).