[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone

C26H30N4O2 — CID 42882396

IUPAC[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N2CCC(N(C)C)CC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-18-10-11-22(16-19(18)2)32-25-23(17-27-24(28-25)20-8-6-5-7-9-20)26(31)30-14-12-21(13-15-30)29(3)4/h5-11,16-17,21H,12-15H2,1-4H3
InChIKeyBRNCZABYOIEVPE-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.72
Rot. Bonds5

About [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone (PubChem CID 42882396) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
PubChem CID42882396
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N2CCC(N(C)C)CC2)cc1C
InChIInChI=1S/C26H30N4O2/c1-18-10-11-22(16-19(18)2)32-25-23(17-27-24(28-25)20-8-6-5-7-9-20)26(31)30-14-12-21(13-15-30)29(3)4/h5-11,16-17,21H,12-15H2,1-4H3
InChIKeyBRNCZABYOIEVPE-UHFFFAOYSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone with MolForge

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Related Compounds

[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 46111454
[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670223
4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42821004
[4-(3-chlorophenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670092
ethyl 1-[4-(4-methylphenoxy)-2-phenylpyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 42670111
[4-(1,3-benzodioxol-5-yloxy)-2-(4-methoxyphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670468
ethyl (3S)-1-[2-(4-methoxyphenyl)-4-phenoxypyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93138214
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670184
4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid
CID 11856159
ethyl 1-[4-[benzyl(methyl)amino]-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42820759
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone (CID 42882396) is [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone is Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N2CCC(N(C)C)CC2)cc1C.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone?
The InChIKey is BRNCZABYOIEVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-10-11-22(16-19(18)2)32-25-23(17-27-24(28-25)20-8-6-5-7-9-20)26(31)30-14-12-21(13-15-30)29(3)4/h5-11,16-17,21H,12-15H2,1-4H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone is sourced from PubChem (CID 42882396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).