4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine

C14H22ClN3 — CID 80972005

IUPAC4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(N2CCCC2(C)C)n1
InChIInChI=1S/C14H22ClN3/c1-5-7-11-16-12(15)10(2)13(17-11)18-9-6-8-14(18,3)4/h5-9H2,1-4H3
InChIKeyQXJJDCCTTQBHQM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.77
Rot. Bonds3

About 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine

4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine (PubChem CID 80972005) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
PubChem CID80972005
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(N2CCCC2(C)C)n1
InChIInChI=1S/C14H22ClN3/c1-5-7-11-16-12(15)10(2)13(17-11)18-9-6-8-14(18,3)4/h5-9H2,1-4H3
InChIKeyQXJJDCCTTQBHQM-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine 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-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751091
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277
6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 80955189
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
3,6-dichloro-5-(2,2-dimethylpyrrolidin-1-yl)-1,2,4-triazine
CID 81037211
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
CID 80978084
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80828637
4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
CID 80978781

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine (CID 80972005) is 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(N2CCCC2(C)C)n1.
What is the InChIKey of 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine?
The InChIKey is QXJJDCCTTQBHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-7-11-16-12(15)10(2)13(17-11)18-9-6-8-14(18,3)4/h5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine has a molecular weight of 267.80 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80972005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).