2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine

C11H16ClN3 — CID 22308337

IUPAC2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1(C)CCCN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-11(2)5-3-7-15(8-11)9-4-6-13-10(12)14-9/h4,6H,3,5,7-8H2,1-2H3
InChIKeyCBURTKTWKGUOHK-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine

2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine (PubChem CID 22308337) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
PubChem CID22308337
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1(C)CCCN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-11(2)5-3-7-15(8-11)9-4-6-13-10(12)14-9/h4,6H,3,5,7-8H2,1-2H3
InChIKeyCBURTKTWKGUOHK-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine (CID 22308337) is 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine is CC1(C)CCCN(c2ccnc(Cl)n2)C1.
What is the InChIKey of 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The InChIKey is CBURTKTWKGUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-11(2)5-3-7-15(8-11)9-4-6-13-10(12)14-9/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 22308337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).