2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride

C8H15ClN6O3 — CID 135689385

IUPAC2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].Cl
InChIInChI=1S/C8H14N6O3.ClH/c1-8(2,10)3-11-5-4(14(16)17)6(15)13-7(9)12-5;/h3,10H2,1-2H3,(H4,9,11,12,13,15);1H
InChIKeyAVKMVEFMUUCZIH-UHFFFAOYSA-N
MW278.70 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride

2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135689385) has the molecular formula C8H15ClN6O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride
PubChem CID135689385
Molecular FormulaC8H15ClN6O3
Molecular Weight278.70 g/mol
Exact Mass278.09
IUPAC Name2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)(N)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].Cl
InChIInChI=1S/C8H14N6O3.ClH/c1-8(2,10)3-11-5-4(14(16)17)6(15)13-7(9)12-5;/h3,10H2,1-2H3,(H4,9,11,12,13,15);1H
InChIKeyAVKMVEFMUUCZIH-UHFFFAOYSA-N
XLogP-0.17
TPSA152.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride (CID 135689385) is 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride is CC(C)(N)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].Cl.
What is the InChIKey of 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is AVKMVEFMUUCZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3.ClH/c1-8(2,10)3-11-5-4(14(16)17)6(15)13-7(9)12-5;/h3,10H2,1-2H3,(H4,9,11,12,13,15);1H.
What are the key properties of 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride?
2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 278.70 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135689385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).