4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine

C10H14ClN3 — CID 53410093

IUPAC4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCCN1c1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-8-4-2-3-5-14(8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyOUMAMNHWQNPJHE-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine

4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine (PubChem CID 53410093) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
PubChem CID53410093
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCCN1c1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-8-4-2-3-5-14(8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyOUMAMNHWQNPJHE-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine (CID 53410093) is 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine is CC1CCCCN1c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine?
The InChIKey is OUMAMNHWQNPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-4-2-3-5-14(8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine?
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine has a molecular weight of 211.70 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 53410093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).