2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one

C12H21N3O — CID 136955171

IUPAC2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(CC)nc(N)[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-7-8-9-10(4-2)14-12(13)15-11(9)16/h3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyPDOVRFDEYLBXJB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds6

About 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one

2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one (PubChem CID 136955171) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
PubChem CID136955171
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(CC)nc(N)[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-7-8-9-10(4-2)14-12(13)15-11(9)16/h3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyPDOVRFDEYLBXJB-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
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-hexyl-1H-pyrimidin-6-one
CID 156874763
4-ethyl-5-methyl-1H-imidazol-2-amine
CID 64981566
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
2-amino-9-hexyl-8-methyl-1H-purin-6-one
CID 135415609
2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
CID 170867331
6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
CID 23648511
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
2,7-diamino-5-butyl-4-oxo-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135847939
2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3130395
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 136689559
2-ethyl-4,5,6-tri(heptadecyl)pyrimidine
CID 91384633
5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
CID 169433103

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one (CID 136955171) is 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one is CCCCCCc1c(CC)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one?
The InChIKey is PDOVRFDEYLBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-6-7-8-9-10(4-2)14-12(13)15-11(9)16/h3-8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one?
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).