4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine

C9H16N4 — CID 118973455

IUPAC4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(NC2CCNC2)NC=N1
InChIInChI=1S/C9H16N4/c1-7-4-9(12-6-11-7)13-8-2-3-10-5-8/h4,6-8,10,13H,2-3,5H2,1H3,(H,11,12)
InChIKeyLWYFJNJVEQVOND-UHFFFAOYSA-N
MW180.26 g/mol
LogP-0.20
Rot. Bonds2

About 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine

4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine (PubChem CID 118973455) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine
PubChem CID118973455
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(NC2CCNC2)NC=N1
InChIInChI=1S/C9H16N4/c1-7-4-9(12-6-11-7)13-8-2-3-10-5-8/h4,6-8,10,13H,2-3,5H2,1H3,(H,11,12)
InChIKeyLWYFJNJVEQVOND-UHFFFAOYSA-N
XLogP-0.20
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-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 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine (CID 118973455) is 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine is CC1C=C(NC2CCNC2)NC=N1.
What is the InChIKey of 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine?
The InChIKey is LWYFJNJVEQVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-4-9(12-6-11-7)13-8-2-3-10-5-8/h4,6-8,10,13H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine?
4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine has a molecular weight of 180.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 118973455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).