(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone

C25H34N4O2 — CID 158470513

IUPAC(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1
InChIInChI=1S/C25H34N4O2/c1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3
InChIKeyYXVINSYWGAYUCO-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.53
Rot. Bonds6

About (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone

(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone (PubChem CID 158470513) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
PubChem CID158470513
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1
InChIInChI=1S/C25H34N4O2/c1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3
InChIKeyYXVINSYWGAYUCO-UHFFFAOYSA-N
XLogP3.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 158470512
[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone
CID 148577546
[6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2R)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 161364624
[5-[(4-tert-butylphenyl)methylamino]-4,6-dimethylpyridazin-3-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 163741542
[6-[2-[(2R,6S)-6-(4-chlorophenyl)oxan-2-yl]ethyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
CID 58035090
[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]methanone
CID 158955933
[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methyl-6-[2-[(2R,6S)-6-[3-(trifluoromethyl)phenyl]oxan-2-yl]ethyl]pyrimidin-4-yl]methanone
CID 58035334
2-methoxy-1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 43791436
[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methoxy-6-[[(2R,6S)-6-phenyloxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 53247534
cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 43791479
[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-(5-methyl-6-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyrimidin-4-yl)methanone
CID 54597225
[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[4-methyl-5-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazin-3-yl]methanone
CID 118039440

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone (CID 158470513) is (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone is COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccccc3)c2C)CC1.
What is the InChIKey of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The InChIKey is YXVINSYWGAYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18-22(16-19-8-4-3-5-9-19)26-17-27-24(18)25(30)29-14-12-20(13-15-29)28-21-10-6-7-11-23(21)31-2/h3-5,8-9,17,20-21,23,28H,6-7,10-16H2,1-2H3.
What are the key properties of (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone has a molecular weight of 422.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 158470513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).