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

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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).