4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine

C14H22ClN3 — CID 55230662

IUPAC4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3/c1-4-5-12-6-8-18(9-7-12)14-10(2)13(15)16-11(3)17-14/h12H,4-9H2,1-3H3
InChIKeyBQHNXHLAUDEJNV-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine

4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine (PubChem CID 55230662) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine
PubChem CID55230662
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3/c1-4-5-12-6-8-18(9-7-12)14-10(2)13(15)16-11(3)17-14/h12H,4-9H2,1-3H3
InChIKeyBQHNXHLAUDEJNV-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine 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

4-Chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
CID 80970589
4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319
4-Chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 59341121
5-Chloro-2,4-difluoro-6-(3,5-dimethylpiperidino)pyrimidine
CID 59341122
4-Chloro-6-(cis-3,5-dimethylpiperidino)-5-fluoropyrimidine
CID 86607460
4-Chloro-6-(3-ethyl-5-methylpiperidin-1-yl)-5-fluoropyrimidine
CID 88958478
4-chloro-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-fluoropyrimidine
CID 140043307
4-Chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine
CID 142964899
2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 168905455
2,4-Dichloro-6-(3,3-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 176675162
6-Chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine
CID 134987080
4-Chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 63728372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine (CID 55230662) is 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine is CCCC1CCN(c2nc(C)nc(Cl)c2C)CC1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine?
The InChIKey is BQHNXHLAUDEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-4-5-12-6-8-18(9-7-12)14-10(2)13(15)16-11(3)17-14/h12H,4-9H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine?
4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine has a molecular weight of 267.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(4-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 55230662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).