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

C9H16N6O3 — CID 135818385

IUPAC2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H16N6O3/c10-4-2-1-3-5-12-7-6(15(17)18)8(16)14-9(11)13-7/h1-5,10H2,(H4,11,12,13,14,16)
InChIKeyOUJKCVJCMLEMSO-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.20
Rot. Bonds7

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

2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one (PubChem CID 135818385) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
PubChem CID135818385
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H16N6O3/c10-4-2-1-3-5-12-7-6(15(17)18)8(16)14-9(11)13-7/h1-5,10H2,(H4,11,12,13,14,16)
InChIKeyOUJKCVJCMLEMSO-UHFFFAOYSA-N
XLogP-0.20
TPSA152.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.20
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-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one
CID 135407704
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
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-[(2-amino-5-nitro-6-oxo-1H-pyrimidin-4-yl)amino]acetonitrile
CID 135843165
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
6-Amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one
CID 11127976

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one (CID 135818385) is 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one is NCCCCCNc1nc(N)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is OUJKCVJCMLEMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3/c10-4-2-1-3-5-12-7-6(15(17)18)8(16)14-9(11)13-7/h1-5,10H2,(H4,11,12,13,14,16).
What are the key properties of 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one?
2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 256.27 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135818385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).