2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one

C10H19N5O — CID 135449031

IUPAC2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-2-3-4-5-6-13-8-7(11)9(16)15-10(12)14-8/h2-6,11H2,1H3,(H4,12,13,14,15,16)
InChIKeyILZDSAXMPRCTNU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.93
Rot. Bonds6

About 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one

2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one (PubChem CID 135449031) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
PubChem CID135449031
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-2-3-4-5-6-13-8-7(11)9(16)15-10(12)14-8/h2-6,11H2,1H3,(H4,12,13,14,15,16)
InChIKeyILZDSAXMPRCTNU-UHFFFAOYSA-N
XLogP0.93
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-9-hexyl-1,7-dihydropurine-6,8-dione
CID 135415605
2-amino-9-hexyl-7-methyl-1H-purine-6,8-dione
CID 135415606
2-amino-6-nonyl-7,8-dihydro-3H-pteridin-4-one
CID 136504209
2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818385
5-amino-2-(butylamino)-1H-pyrimidin-6-one
CID 20276616
5-amino-2-(hexylamino)-1H-pyrimidin-6-one
CID 20276621
5-amino-2-(octylamino)-1H-pyrimidin-6-one
CID 20276646
5-amino-2-(cycloheptylamino)-1H-pyrimidin-6-one
CID 20276659
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668
2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
CID 66758684
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135442228
6(s)-Propyl-tetrahydropterin
CID 135518060

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one (CID 135449031) is 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one is CCCCCCNc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one?
The InChIKey is ILZDSAXMPRCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-3-4-5-6-13-8-7(11)9(16)15-10(12)14-8/h2-6,11H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one has a molecular weight of 225.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135449031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).