N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C13H19ClN4O — CID 113402560

IUPACN-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C13H19ClN4O/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10(7-18)15-9(3)19/h6,8,10H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyCJHPYOOWSHNBQW-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 113402560) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID113402560
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C13H19ClN4O/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10(7-18)15-9(3)19/h6,8,10H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyCJHPYOOWSHNBQW-UHFFFAOYSA-N
XLogP1.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide 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

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
1-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80947995
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
CID 167742842
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 106768259
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
CID 138005845
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80951646
methyl N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 106768257
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 113402560) is N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(Cl)nc(C(C)C)n2)C1.
What is the InChIKey of N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is CJHPYOOWSHNBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10(7-18)15-9(3)19/h6,8,10H,4-5,7H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).