4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine

C13H20ClN3 — CID 94672654

IUPAC4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
SMILESCC1CCN(c2nc(Cl)cc(C(C)C)n2)CC1
InChIInChI=1S/C13H20ClN3/c1-9(2)11-8-12(14)16-13(15-11)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3
InChIKeySGXAEFWVXQVQEH-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.49
Rot. Bonds2

About 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine

4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine (PubChem CID 94672654) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
PubChem CID94672654
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
SMILESCC1CCN(c2nc(Cl)cc(C(C)C)n2)CC1
InChIInChI=1S/C13H20ClN3/c1-9(2)11-8-12(14)16-13(15-11)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3
InChIKeySGXAEFWVXQVQEH-UHFFFAOYSA-N
XLogP3.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 25474747
2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39348452
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
N-[1-[2-[4-[acetyl(methyl)amino]piperidin-1-yl]-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
CID 75507403
N-methyl-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192524
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine (CID 94672654) is 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine is CC1CCN(c2nc(Cl)cc(C(C)C)n2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine?
The InChIKey is SGXAEFWVXQVQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)11-8-12(14)16-13(15-11)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 94672654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).