2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one

C10H18N6O3 — CID 135818386

IUPAC2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3/c11-5-3-1-2-4-6-13-8-7(16(18)19)9(17)15-10(12)14-8/h1-6,11H2,(H4,12,13,14,15,17)
InChIKeyAAXWSKJHKWNSIH-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.19
Rot. Bonds8

About 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one

2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one (PubChem CID 135818386) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one
PubChem CID135818386
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N6O3/c11-5-3-1-2-4-6-13-8-7(16(18)19)9(17)15-10(12)14-8/h1-6,11H2,(H4,12,13,14,15,17)
InChIKeyAAXWSKJHKWNSIH-UHFFFAOYSA-N
XLogP0.19
TPSA152.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818385
2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one
CID 135407704
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
2-amino-4-[(1-amino-2-methylpropan-2-yl)amino]-5-nitro-1H-pyrimidin-6-one
CID 135689382
2-Amino-6-(2-amino-2-methylpropylamino)-4-hydroxy-5-nitropyrimidine monohydrochloride
CID 135689385
2-Amino-6-hydroxy-4-(3'-methylbutylamino)-5-nitropyrimidine
CID 136140190
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
2-amino-5-nitroso-4-(propylamino)-1H-pyrimidin-6-one
CID 136473824
N-[4-(ethylamino)-5-nitro-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 137084781
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135474227

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one (CID 135818386) is 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one is NCCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is AAXWSKJHKWNSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c11-5-3-1-2-4-6-13-8-7(16(18)19)9(17)15-10(12)14-8/h1-6,11H2,(H4,12,13,14,15,17).
What are the key properties of 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one?
2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 270.29 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-aminohexylamino)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135818386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).