2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one

C10H17N5O2 — CID 135516642

IUPAC2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C10H17N5O2/c1-2-3-4-5-6-12-8-7(15-17)9(16)14-10(11)13-8/h2-6H2,1H3,(H4,11,12,13,14,16)
InChIKeyGJCMQAPSDQAKDG-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.74
Rot. Bonds7

About 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135516642) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135516642
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C10H17N5O2/c1-2-3-4-5-6-12-8-7(15-17)9(16)14-10(11)13-8/h2-6H2,1H3,(H4,11,12,13,14,16)
InChIKeyGJCMQAPSDQAKDG-UHFFFAOYSA-N
XLogP1.74
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(heptylamino)-5-nitroso-1H-pyrimidine-2,4-dione
CID 146025762
2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987603
2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135987607
2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818385
5-amino-2-(hexylamino)-1H-pyrimidin-6-one
CID 20276621
2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
CID 66758684
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
4-amino-2-[ethyl(octadecyl)amino]-5-nitroso-1H-pyrimidin-6-one
CID 136085306
2-Amino-6-hydroxy-4-(3'-methylbutylamino)-5-nitropyrimidine
CID 136140190
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135516642) is 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one is CCCCCCNc1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is GJCMQAPSDQAKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-4-5-6-12-8-7(15-17)9(16)14-10(11)13-8/h2-6H2,1H3,(H4,11,12,13,14,16).
What are the key properties of 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 239.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hexylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135516642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).