4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine

C8H15N5 — CID 154147072

IUPAC4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine
SMILESNC1=CC(N)(C2CCNC2)N=CN1
InChIInChI=1S/C8H15N5/c9-7-3-8(10,13-5-12-7)6-1-2-11-4-6/h3,5-6,11H,1-2,4,9-10H2,(H,12,13)
InChIKeyOGZRHLCOHUSFBB-UHFFFAOYSA-N
MW181.24 g/mol
LogP-1.32
Rot. Bonds1

About 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine

4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine (PubChem CID 154147072) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine
PubChem CID154147072
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine
SMILESNC1=CC(N)(C2CCNC2)N=CN1
InChIInChI=1S/C8H15N5/c9-7-3-8(10,13-5-12-7)6-1-2-11-4-6/h3,5-6,11H,1-2,4,9-10H2,(H,12,13)
InChIKeyOGZRHLCOHUSFBB-UHFFFAOYSA-N
XLogP-1.32
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine 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-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine?
The IUPAC name of 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine (CID 154147072) is 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine is NC1=CC(N)(C2CCNC2)N=CN1.
What is the InChIKey of 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine?
The InChIKey is OGZRHLCOHUSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-7-3-8(10,13-5-12-7)6-1-2-11-4-6/h3,5-6,11H,1-2,4,9-10H2,(H,12,13).
What are the key properties of 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine?
4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine has a molecular weight of 181.24 g/mol, XLogP of -1.32, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1H-pyrimidine-4,6-diamine is sourced from PubChem (CID 154147072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).