6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine

C22H32N4 — CID 112876342

IUPAC6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H32N4/c1-4-5-13-25(3)21-17-22(24-18(2)23-21)26-14-11-20(12-15-26)16-19-9-7-6-8-10-19/h6-10,17,20H,4-5,11-16H2,1-3H3
InChIKeyGUKANCFELSGWGL-UHFFFAOYSA-N
MW352.53 g/mol
LogP4.48
Rot. Bonds7

About 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine

6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 112876342) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
PubChem CID112876342
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H32N4/c1-4-5-13-25(3)21-17-22(24-18(2)23-21)26-14-11-20(12-15-26)16-19-9-7-6-8-10-19/h6-10,17,20H,4-5,11-16H2,1-3H3
InChIKeyGUKANCFELSGWGL-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
6-((3S,4S)-3-Amino-4-(2,4,5-trifluorophenyl)piperidin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 23647113
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80767779
4-N,6-N-dimethyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
CID 155511596
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
2-Pyrimidinamine, 4-phenyl-6-(1-piperidinyl)-
CID 879133
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1408942

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine (CID 112876342) is 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine is CCCCN(C)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is GUKANCFELSGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-4-5-13-25(3)21-17-22(24-18(2)23-21)26-14-11-20(12-15-26)16-19-9-7-6-8-10-19/h6-10,17,20H,4-5,11-16H2,1-3H3.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 352.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).