5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride

C4H11ClN4 — CID 69059937

IUPAC5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride
SMILESCl.NC1(N)N=CCCN1
InChIInChI=1S/C4H10N4.ClH/c5-4(6)7-2-1-3-8-4;/h2,8H,1,3,5-6H2;1H
InChIKeyWEJNVNOTAORBIS-UHFFFAOYSA-N
MW150.61 g/mol
LogP-1.00
Rot. Bonds

About 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride

5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride (PubChem CID 69059937) has the molecular formula C4H11ClN4 and a molecular weight of 150.61 g/mol. Its IUPAC name is 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride.

Molecular Properties

Compound Name5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride
PubChem CID69059937
Molecular FormulaC4H11ClN4
Molecular Weight150.61 g/mol
Exact Mass150.07
IUPAC Name5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride
SMILESCl.NC1(N)N=CCCN1
InChIInChI=1S/C4H10N4.ClH/c5-4(6)7-2-1-3-8-4;/h2,8H,1,3,5-6H2;1H
InChIKeyWEJNVNOTAORBIS-UHFFFAOYSA-N
XLogP-1.00
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride 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 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride?
The IUPAC name of 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride (CID 69059937) is 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride.
What is the SMILES notation for 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride?
The canonical SMILES for 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride is Cl.NC1(N)N=CCCN1.
What is the InChIKey of 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride?
The InChIKey is WEJNVNOTAORBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.ClH/c5-4(6)7-2-1-3-8-4;/h2,8H,1,3,5-6H2;1H.
What are the key properties of 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride?
5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of -1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-pyrimidine-2,2-diamine;hydrochloride is sourced from PubChem (CID 69059937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).