4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile

C12H18N6 — CID 131892795

IUPAC4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
SMILESCCCN1CCC(Nc2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C12H18N6/c1-2-4-18-5-3-10(8-18)16-12-15-7-9(6-13)11(14)17-12/h7,10H,2-5,8H2,1H3,(H3,14,15,16,17)
InChIKeyGJSYZQJJCUKZHL-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile

4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile (PubChem CID 131892795) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
PubChem CID131892795
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
SMILESCCCN1CCC(Nc2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C12H18N6/c1-2-4-18-5-3-10(8-18)16-12-15-7-9(6-13)11(14)17-12/h7,10H,2-5,8H2,1H3,(H3,14,15,16,17)
InChIKeyGJSYZQJJCUKZHL-UHFFFAOYSA-N
XLogP0.83
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile 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 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile (CID 131892795) is 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile is CCCN1CCC(Nc2ncc(C#N)c(N)n2)C1.
What is the InChIKey of 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile?
The InChIKey is GJSYZQJJCUKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-4-18-5-3-10(8-18)16-12-15-7-9(6-13)11(14)17-12/h7,10H,2-5,8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile?
4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile has a molecular weight of 246.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131892795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).