N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C13H22N4 — CID 112909479

IUPACN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-4-16(5-2)12-10-11(3)14-13(15-12)17-8-6-7-9-17/h10H,4-9H2,1-3H3
InChIKeyVDDYUCODPKITQM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.23
Rot. Bonds4

About N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112909479) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112909479
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-4-16(5-2)12-10-11(3)14-13(15-12)17-8-6-7-9-17/h10H,4-9H2,1-3H3
InChIKeyVDDYUCODPKITQM-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112909479) is N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CCN(CC)c1cc(C)nc(N2CCCC2)n1.
What is the InChIKey of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is VDDYUCODPKITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-16(5-2)12-10-11(3)14-13(15-12)17-8-6-7-9-17/h10H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112909479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).