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

C10H18N6 — CID 154107185

IUPAC4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CC=NC2)C=CN1
InChIInChI=1S/C10H18N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-5H,1-2,6-8,12H2,(H3,11,14,15)
InChIKeySMHRLPIIQVTWHZ-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.80
Rot. Bonds4

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

4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154107185) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
PubChem CID154107185
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CC=NC2)C=CN1
InChIInChI=1S/C10H18N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-5H,1-2,6-8,12H2,(H3,11,14,15)
InChIKeySMHRLPIIQVTWHZ-UHFFFAOYSA-N
XLogP-0.80
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2,4-dihydroimidazol-3-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-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
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-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154150047
4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
CID 154232490
N,2,4-trimethyl-1-pentylpyrimidin-4-amine
CID 169973959

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine (CID 154107185) is 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CC=NC2)C=CN1.
What is the InChIKey of 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is SMHRLPIIQVTWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-5H,1-2,6-8,12H2,(H3,11,14,15).
What are the key properties of 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine?
4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 222.30 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154107185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).