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

C8H16N6O — CID 135442228

IUPAC2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H16N6O/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)
InChIKeyZGWZQBKMIYOXIX-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.92
Rot. Bonds3

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

2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 135442228) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID135442228
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C8H16N6O/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)
InChIKeyZGWZQBKMIYOXIX-UHFFFAOYSA-N
XLogP-0.92
TPSA135.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 135442228) is 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)(N)CNc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZGWZQBKMIYOXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/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).
What are the key properties of 2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.26 g/mol, XLogP of -0.92, 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 is sourced from PubChem (CID 135442228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).