4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

C10H20N6 — CID 149162530

IUPAC4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCN2)C=CN1
InChIInChI=1S/C10H20N6/c11-9-13-6-4-10(12,15-9)3-1-7-16-8-2-5-14-16/h4,6,14H,1-3,5,7-8,12H2,(H3,11,13,15)
InChIKeyCLSRSOJAMKRHSS-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.94
Rot. Bonds4

About 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 149162530) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID149162530
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCN2)C=CN1
InChIInChI=1S/C10H20N6/c11-9-13-6-4-10(12,15-9)3-1-7-16-8-2-5-14-16/h4,6,14H,1-3,5,7-8,12H2,(H3,11,13,15)
InChIKeyCLSRSOJAMKRHSS-UHFFFAOYSA-N
XLogP-0.94
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(3-pyrazolidin-1-ylpropyl)-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-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 154253562
4-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine;hydrochloride
CID 157946324

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (CID 149162530) is 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CCCN2)C=CN1.
What is the InChIKey of 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is CLSRSOJAMKRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c11-9-13-6-4-10(12,15-9)3-1-7-16-8-2-5-14-16/h4,6,14H,1-3,5,7-8,12H2,(H3,11,13,15).
What are the key properties of 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 149162530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).