4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine

C14H22ClN3 — CID 80951632

IUPAC4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(N2CCCC(C)C2C)n1
InChIInChI=1S/C14H22ClN3/c1-9(2)14-16-12(15)8-13(17-14)18-7-5-6-10(3)11(18)4/h8-11H,5-7H2,1-4H3
InChIKeyHCCPHZAHBGEKAL-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.88
Rot. Bonds2

About 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine

4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine (PubChem CID 80951632) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
PubChem CID80951632
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(N2CCCC(C)C2C)n1
InChIInChI=1S/C14H22ClN3/c1-9(2)14-16-12(15)8-13(17-14)18-7-5-6-10(3)11(18)4/h8-11H,5-7H2,1-4H3
InChIKeyHCCPHZAHBGEKAL-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine (CID 80951632) is 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(N2CCCC(C)C2C)n1.
What is the InChIKey of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine?
The InChIKey is HCCPHZAHBGEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-9(2)14-16-12(15)8-13(17-14)18-7-5-6-10(3)11(18)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine?
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine has a molecular weight of 267.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80951632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).