2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one

C14H25N3O — CID 136701817

IUPAC2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H25N3O/c1-4-7-8-11(5-2)10-15-13-9-14(18)17-12(6-3)16-13/h9,11H,4-8,10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVSTJVYWXCOGOHO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.96
Rot. Bonds8

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

2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one (PubChem CID 136701817) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
PubChem CID136701817
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H25N3O/c1-4-7-8-11(5-2)10-15-13-9-14(18)17-12(6-3)16-13/h9,11H,4-8,10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVSTJVYWXCOGOHO-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.96
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 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one (CID 136701817) is 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one is CCCCC(CC)CNc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one?
The InChIKey is VSTJVYWXCOGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-8-11(5-2)10-15-13-9-14(18)17-12(6-3)16-13/h9,11H,4-8,10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one has a molecular weight of 251.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136701817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).