5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

C13H20Cl2N4O — CID 119386084

IUPAC5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2CCNCC2)n1.Cl
InChIInChI=1S/C13H19ClN4O.ClH/c1-8(2)12-16-7-10(14)11(18-12)13(19)17-9-3-5-15-6-4-9;/h7-9,15H,3-6H2,1-2H3,(H,17,19);1H
InChIKeyKXDRKUAKPHYGEN-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119386084) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119386084
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2CCNCC2)n1.Cl
InChIInChI=1S/C13H19ClN4O.ClH/c1-8(2)12-16-7-10(14)11(18-12)13(19)17-9-3-5-15-6-4-9;/h7-9,15H,3-6H2,1-2H3,(H,17,19);1H
InChIKeyKXDRKUAKPHYGEN-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride 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

5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103709475
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192824
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119386084) is 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is CC(C)c1ncc(Cl)c(C(=O)NC2CCNCC2)n1.Cl.
What is the InChIKey of 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is KXDRKUAKPHYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O.ClH/c1-8(2)12-16-7-10(14)11(18-12)13(19)17-9-3-5-15-6-4-9;/h7-9,15H,3-6H2,1-2H3,(H,17,19);1H.
What are the key properties of 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 319.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119386084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).