5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide

C14H19ClN4O2 — CID 79376786

IUPAC5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H19ClN4O2/c1-8(2)13-17-7-10(15)12(19-13)14(21)16-6-5-11(20)18-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyVXALDHDTSHLEHB-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.65
Rot. Bonds6

About 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 79376786) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID79376786
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H19ClN4O2/c1-8(2)13-17-7-10(15)12(19-13)14(21)16-6-5-11(20)18-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyVXALDHDTSHLEHB-UHFFFAOYSA-N
XLogP1.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide 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-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119386084
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103709475
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-2-propan-2-yl-N-[[(2R)-thiolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 97085857
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103719266

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 79376786) is 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCC(=O)NC2CC2)n1.
What is the InChIKey of 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VXALDHDTSHLEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-8(2)13-17-7-10(15)12(19-13)14(21)16-6-5-11(20)18-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 79376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).