N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine

C13H22N4 — CID 80933054

IUPACN,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C)C2)nc(CC)n1
InChIInChI=1S/C13H22N4/c1-4-11-15-12(14-5-2)8-13(16-11)17-7-6-10(3)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyGJEWBOCCBDIONL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds4

About N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine

N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80933054) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80933054
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C)C2)nc(CC)n1
InChIInChI=1S/C13H22N4/c1-4-11-15-12(14-5-2)8-13(16-11)17-7-6-10(3)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyGJEWBOCCBDIONL-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-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

2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80933251
6-(2,5-dimethylpiperidin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80942396
N,2-diethyl-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80933708
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683910
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971298
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
N,2-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80935088
6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80933757
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
6-(4-butan-2-ylpiperazin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80940626
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80933054) is N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCC(C)C2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is GJEWBOCCBDIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-15-12(14-5-2)8-13(16-11)17-7-6-10(3)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80933054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).