2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine

C10H13Cl2N3 — CID 79633490

IUPAC2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3
InChIKeyVPVLAAUJLBDPMW-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.02
Rot. Bonds1

About 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine

2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 79633490) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID79633490
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3
InChIKeyVPVLAAUJLBDPMW-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-4-(3-methylpiperidin-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

1-(2,5-dichloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79633042
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
1-(2-chloro-5-nitropyrimidin-4-yl)-4-methylazepane
CID 114043306
5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
CID 130053500
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine (CID 79633490) is 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is VPVLAAUJLBDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine?
2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 246.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 79633490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).