4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

C20H28N4 — CID 112883410

IUPAC4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4/c1-16(2)15-22-20-21-11-8-19(23-20)24-12-9-18(10-13-24)14-17-6-4-3-5-7-17/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,22,23)
InChIKeySRMDVCVXGJLOCH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.00
Rot. Bonds6

About 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 112883410) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID112883410
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4/c1-16(2)15-22-20-21-11-8-19(23-20)24-12-9-18(10-13-24)14-17-6-4-3-5-7-17/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,22,23)
InChIKeySRMDVCVXGJLOCH-UHFFFAOYSA-N
XLogP4.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine 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

N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112900775
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 44548366
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 67087344
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 112883410) is 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is SRMDVCVXGJLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16(2)15-22-20-21-11-8-19(23-20)24-12-9-18(10-13-24)14-17-6-4-3-5-7-17/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112883410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).