2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine

C13H20ClN3 — CID 63161724

IUPAC2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
SMILESCCC1(CC)CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C13H20ClN3/c1-3-13(4-2)6-9-17(10-7-13)11-5-8-15-12(14)16-11/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyIJGVTZZUZXEZAI-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine

2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine (PubChem CID 63161724) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
PubChem CID63161724
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
SMILESCCC1(CC)CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C13H20ClN3/c1-3-13(4-2)6-9-17(10-7-13)11-5-8-15-12(14)16-11/h5,8H,3-4,6-7,9-10H2,1-2H3
InChIKeyIJGVTZZUZXEZAI-UHFFFAOYSA-N
XLogP3.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine (CID 63161724) is 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine is CCC1(CC)CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine?
The InChIKey is IJGVTZZUZXEZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-13(4-2)6-9-17(10-7-13)11-5-8-15-12(14)16-11/h5,8H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine?
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 63161724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).