2-amino-4-heptan-3-yl-1H-pyrimidin-6-one

C11H19N3O — CID 135752510

IUPAC2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C11H19N3O/c1-3-5-6-8(4-2)9-7-10(15)14-11(12)13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyLWWWIFNCDSOSIY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one

2-amino-4-heptan-3-yl-1H-pyrimidin-6-one (PubChem CID 135752510) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
PubChem CID135752510
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C11H19N3O/c1-3-5-6-8(4-2)9-7-10(15)14-11(12)13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyLWWWIFNCDSOSIY-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-hexyl-1H-pyrimidin-6-one
CID 156874763
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
6-nonan-3-yl-1H-pyrimidine-2,4-dione
CID 134171693
4-heptan-3-yl-2H-triazole
CID 170381797
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
2-heptan-3-yl-4,5-dimethylidene-1H-pyrimidin-6-one
CID 143002522
4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
CID 175434146
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136776198
methyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate
CID 136808407
5,6-difluoro-2-heptan-3-yl-1H-benzimidazole
CID 63399395
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one (CID 135752510) is 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one is CCCCC(CC)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one?
The InChIKey is LWWWIFNCDSOSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-6-8(4-2)9-7-10(15)14-11(12)13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one?
2-amino-4-heptan-3-yl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-heptan-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135752510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).