2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

C17H28N4 — CID 119038345

IUPAC2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCc1nc(C)cc(N2CCCC2CN2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-3-16-18-14(2)12-17(19-16)21-11-7-8-15(21)13-20-9-5-4-6-10-20/h12,15H,3-11,13H2,1-2H3
InChIKeyQXKMDTBGWJLOJP-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.80
Rot. Bonds4

About 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 119038345) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID119038345
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCc1nc(C)cc(N2CCCC2CN2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-3-16-18-14(2)12-17(19-16)21-11-7-8-15(21)13-20-9-5-4-6-10-20/h12,15H,3-11,13H2,1-2H3
InChIKeyQXKMDTBGWJLOJP-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine 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

N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126837770
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 100759697
2-ethyl-4-methyl-6-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 100759703
4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95599907
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
CID 97055608
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 119038345) is 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is CCc1nc(C)cc(N2CCCC2CN2CCCCC2)n1.
What is the InChIKey of 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is QXKMDTBGWJLOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-16-18-14(2)12-17(19-16)21-11-7-8-15(21)13-20-9-5-4-6-10-20/h12,15H,3-11,13H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 119038345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).