5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione

C14H25N3O2 — CID 63800980

IUPAC5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-7-8-11(5-2)9-17-13(18)12(15)10-16(6-3)14(17)19/h10-11H,4-9,15H2,1-3H3
InChIKeyJLFCXNWDEJOFBT-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.83
Rot. Bonds7

About 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione

5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione (PubChem CID 63800980) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
PubChem CID63800980
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-7-8-11(5-2)9-17-13(18)12(15)10-16(6-3)14(17)19/h10-11H,4-9,15H2,1-3H3
InChIKeyJLFCXNWDEJOFBT-UHFFFAOYSA-N
XLogP1.83
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991
5-amino-3-[(E)-3-chloroprop-2-enyl]-1-ethylpyrimidine-2,4-dione
CID 107900569
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
CID 63812378
hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 158092891
13,15-dibromo-5,11-bis(2-ethylhexyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2(8),3(16),7(15),9(14)-pentaene-4,6,10,12-tetrone
CID 91150886
5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
CID 63799731
1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
5-amino-1-(2-ethylhexyl)-6-hydroxy-4-methyl-3-(methylideneamino)pyridin-2-one
CID 71153804
3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
CID 63021498
1-[2-(bromomethyl)butyl]-3-ethylimidazol-2-one
CID 80580205
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione (CID 63800980) is 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione is CCCCC(CC)Cn1c(=O)c(N)cn(CC)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione?
The InChIKey is JLFCXNWDEJOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-8-11(5-2)9-17-13(18)12(15)10-16(6-3)14(17)19/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63800980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).