4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 136817763

IUPAC4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)10(16)7-13-11-6-12(17)15-8(3)14-11/h6,9-10,16H,4-5,7H2,1-3H3,(H2,13,14,15,17)
InChIKeySLOUYAWUSHNHAM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.29
Rot. Bonds6

About 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136817763) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136817763
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H21N3O2/c1-4-9(5-2)10(16)7-13-11-6-12(17)15-8(3)14-11/h6,9-10,16H,4-5,7H2,1-3H3,(H2,13,14,15,17)
InChIKeySLOUYAWUSHNHAM-UHFFFAOYSA-N
XLogP1.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136817763) is 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one is CCC(CC)C(O)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SLOUYAWUSHNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-9(5-2)10(16)7-13-11-6-12(17)15-8(3)14-11/h6,9-10,16H,4-5,7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136817763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).