2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride

C8H18Cl2N6O — CID 135689386

IUPAC2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1N.Cl.Cl
InChIInChI=1S/C8H16N6O.2ClH/c1-8(2,11)3-12-5-4(9)6(15)14-7(10)13-5;;/h3,9,11H2,1-2H3,(H4,10,12,13,14,15);2*1H
InChIKeyAVRUHZBDHWSBJF-UHFFFAOYSA-N
MW285.18 g/mol
LogP-0.07
Rot. Bonds3

About 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride

2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 135689386) has the molecular formula C8H18Cl2N6O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride
PubChem CID135689386
Molecular FormulaC8H18Cl2N6O
Molecular Weight285.18 g/mol
Exact Mass284.09
IUPAC Name2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1N.Cl.Cl
InChIInChI=1S/C8H16N6O.2ClH/c1-8(2,11)3-12-5-4(9)6(15)14-7(10)13-5;;/h3,9,11H2,1-2H3,(H4,10,12,13,14,15);2*1H
InChIKeyAVRUHZBDHWSBJF-UHFFFAOYSA-N
XLogP-0.07
TPSA135.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride 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 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride (CID 135689386) is 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride is CC(C)(N)CNc1nc(N)[nH]c(=O)c1N.Cl.Cl.
What is the InChIKey of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is AVRUHZBDHWSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O.2ClH/c1-8(2,11)3-12-5-4(9)6(15)14-7(10)13-5;;/h3,9,11H2,1-2H3,(H4,10,12,13,14,15);2*1H.
What are the key properties of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride?
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 285.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 135689386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).