4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C15H27N3O — CID 136701819

IUPAC4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-8-12(6-2)10-16-13-9-14(19)18-15(17-13)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyJXGLXKJOIKYQSR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.52
Rot. Bonds8

About 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136701819) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136701819
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-8-12(6-2)10-16-13-9-14(19)18-15(17-13)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyJXGLXKJOIKYQSR-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-Amino-2-cyclohexylpyrimid-6-one
CID 135596636
2-octan-2-yl-1H-pyrimidin-6-one
CID 155019745
2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 61868326
2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 61868971
2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 65407142
2-(2-piperidin-3-ylethyl)-1H-pyrimidin-6-one
CID 84035398
2-(azepan-3-ylmethyl)-1H-pyrimidin-6-one
CID 84675425
2-(azepan-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675429
4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105480520
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136701819) is 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CCCCC(CC)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JXGLXKJOIKYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-8-12(6-2)10-16-13-9-14(19)18-15(17-13)11(3)4/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).