4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine

C16H28N4 — CID 80830988

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCC(C)(CC)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-9-17-15-18-12-13(3)14(19-15)20-10-7-16(4,6-2)8-11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyNICGRFXAQQBDPU-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine

4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80830988) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80830988
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCC(C)(CC)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-9-17-15-18-12-13(3)14(19-15)20-10-7-16(4,6-2)8-11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyNICGRFXAQQBDPU-UHFFFAOYSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine 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

5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
5-methyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746687
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80804882
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine (CID 80830988) is 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCC(C)(CC)CC2)n1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is NICGRFXAQQBDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-17-15-18-12-13(3)14(19-15)20-10-7-16(4,6-2)8-11-20/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80830988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).