2-(2-ethylpentylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 121216565

IUPAC2-(2-ethylpentylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)CNc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-9(4-2)8-13-11-12-7-6-10(15)14-11/h6-7,9H,3-5,8H2,1-2H3,(H2,12,13,14,15)
InChIKeyRRBFEZCORLFMTQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds6

About 2-(2-ethylpentylamino)-1H-pyrimidin-6-one

2-(2-ethylpentylamino)-1H-pyrimidin-6-one (PubChem CID 121216565) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-ethylpentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethylpentylamino)-1H-pyrimidin-6-one
PubChem CID121216565
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2-ethylpentylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)CNc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-9(4-2)8-13-11-12-7-6-10(15)14-11/h6-7,9H,3-5,8H2,1-2H3,(H2,12,13,14,15)
InChIKeyRRBFEZCORLFMTQ-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401
2-(tridecylamino)-1H-pyrimidin-6-one
CID 18353592
2-(hexylamino)-1H-pyrimidin-6-one
CID 20460234
1-(6-oxo-1H-pyrimidin-2-yl)-3-pentylurea
CID 20768403
2-(heptan-3-ylamino)-1H-pyrimidin-6-one
CID 22182970
1-hexyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 53748153
2-(8-methylnonylamino)-1H-pyrimidin-6-one
CID 67606113
4-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pentanamide
CID 130214702
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
2-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 140329315
1-(2-ethylhex-5-enyl)-1-(6-oxo-1H-pyrimidin-2-yl)urea
CID 142144759

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethylpentylamino)-1H-pyrimidin-6-one (CID 121216565) is 2-(2-ethylpentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethylpentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethylpentylamino)-1H-pyrimidin-6-one is CCCC(CC)CNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-ethylpentylamino)-1H-pyrimidin-6-one?
The InChIKey is RRBFEZCORLFMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-9(4-2)8-13-11-12-7-6-10(15)14-11/h6-7,9H,3-5,8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(2-ethylpentylamino)-1H-pyrimidin-6-one?
2-(2-ethylpentylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 121216565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).