4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine

C11H19N5 — CID 154150047

IUPAC4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CC=CC2)C=CN1
InChIInChI=1S/C11H19N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h1-2,5-6H,3-4,7-9,13H2,(H3,12,14,15)
InChIKeyQZXLXZLHBDXQGA-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.28
Rot. Bonds4

About 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine

4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154150047) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
PubChem CID154150047
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CC=CC2)C=CN1
InChIInChI=1S/C11H19N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h1-2,5-6H,3-4,7-9,13H2,(H3,12,14,15)
InChIKeyQZXLXZLHBDXQGA-UHFFFAOYSA-N
XLogP-0.28
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine 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

4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154107185
4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 154137087
4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 154138146
4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154177370
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
CID 154199516
4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
CID 154232490
4-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 154253562
4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine
CID 154292391

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine (CID 154150047) is 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CC=CC2)C=CN1.
What is the InChIKey of 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is QZXLXZLHBDXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-10-14-6-5-11(13,15-10)4-3-9-16-7-1-2-8-16/h1-2,5-6H,3-4,7-9,13H2,(H3,12,14,15).
What are the key properties of 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154150047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).