4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine

C15H24ClN3 — CID 80970665

IUPAC4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCCC1CCN(c2nc(C(C)C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-12-6-8-19(9-7-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyXUOFUCLKUJZRKE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.19
Rot. Bonds3

About 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80970665) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80970665
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCCC1CCN(c2nc(C(C)C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-12-6-8-19(9-7-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyXUOFUCLKUJZRKE-UHFFFAOYSA-N
XLogP4.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856688
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
CID 80977670
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
6-(4-tert-butylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80984837
[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81006221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine (CID 80970665) is 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine is CCC1CCN(c2nc(C(C)C)nc(Cl)c2C)CC1.
What is the InChIKey of 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is XUOFUCLKUJZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-5-12-6-8-19(9-7-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 281.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80970665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).