2-amino-4-hexyl-1H-pyrimidin-6-one

C10H17N3O — CID 156874763

IUPAC2-amino-4-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-8-7-9(14)13-10(11)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyNSNKJXSZCJWYHE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-4-hexyl-1H-pyrimidin-6-one

2-amino-4-hexyl-1H-pyrimidin-6-one (PubChem CID 156874763) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-4-hexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hexyl-1H-pyrimidin-6-one
PubChem CID156874763
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-4-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-8-7-9(14)13-10(11)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyNSNKJXSZCJWYHE-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
2-methylsulfanyl-4-tetradecyl-1H-pyrimidin-6-one
CID 137079394
4-heptadec-8-enyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137178356
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
1-(6-oxo-4-tridecyl-1H-pyrimidin-2-yl)-3-[12-[(6-oxo-4-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]dodecyl]urea
CID 136805485
1-(6-oxo-4-undecyl-1H-pyrimidin-2-yl)-3-[6-[(6-oxo-4-undecyl-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136883553
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
CID 135752510
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-methyl-2,6-dioctylpyridine
CID 66935754
4,6-didodecyl-2-methylpyrimidine
CID 66935955
7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137167951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hexyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hexyl-1H-pyrimidin-6-one (CID 156874763) is 2-amino-4-hexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hexyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hexyl-1H-pyrimidin-6-one is CCCCCCc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-hexyl-1H-pyrimidin-6-one?
The InChIKey is NSNKJXSZCJWYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-6-8-7-9(14)13-10(11)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 2-amino-4-hexyl-1H-pyrimidin-6-one?
2-amino-4-hexyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 156874763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).