N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine

C17H21ClN4 — CID 130891534

IUPACN-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C17H21ClN4/c1-13-11-22(12-14-5-3-2-4-6-14)10-8-15(13)20-16-7-9-19-17(18)21-16/h2-7,9,13,15H,8,10-12H2,1H3,(H,19,20,21)
InChIKeyJKABZYWHPJMGBW-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.45
Rot. Bonds4

About N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine

N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine (PubChem CID 130891534) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
PubChem CID130891534
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C17H21ClN4/c1-13-11-22(12-14-5-3-2-4-6-14)10-8-15(13)20-16-7-9-19-17(18)21-16/h2-7,9,13,15H,8,10-12H2,1H3,(H,19,20,21)
InChIKeyJKABZYWHPJMGBW-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
CID 130855413
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
CID 130908937
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine (CID 130891534) is N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine is CC1CN(Cc2ccccc2)CCC1Nc1ccnc(Cl)n1.
What is the InChIKey of N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine?
The InChIKey is JKABZYWHPJMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-13-11-22(12-14-5-3-2-4-6-14)10-8-15(13)20-16-7-9-19-17(18)21-16/h2-7,9,13,15H,8,10-12H2,1H3,(H,19,20,21).
What are the key properties of N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine?
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 130891534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).