1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione

C18H24N2O3 — CID 142630502

IUPAC1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
SMILESCCCCn1c(Oc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-5-7-8-20-17(15(6-2)16(21)19-18(20)22)23-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3,(H,19,21,22)
InChIKeyAVLQFHGDTVNLTP-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.31
Rot. Bonds6

About 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione

1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione (PubChem CID 142630502) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
PubChem CID142630502
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
SMILESCCCCn1c(Oc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-5-7-8-20-17(15(6-2)16(21)19-18(20)22)23-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3,(H,19,21,22)
InChIKeyAVLQFHGDTVNLTP-UHFFFAOYSA-N
XLogP3.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione;6-(3,5-dimethylphenoxy)-5-ethyl-1H-pyrimidine-2,4-dione
CID 160775201
6-(3,5-dimethylphenoxy)-5-ethyl-1H-pyrimidine-2,4-dione;6-(3,5-dimethylphenoxy)-5-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 158137842
1-[(Z)-but-2-enyl]-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione;3-(3-butyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-yl)oxy-5-methylbenzonitrile;1-but-2-ynyl-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
CID 159689088
6-amino-1-butyl-5-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-ethylamino]pyrimidine-2,4-dione
CID 78838901
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
3-[(E)-but-2-enyl]-6-(3,5-dimethylphenoxy)-5-ethyl-1H-pyrimidine-2,4-dione
CID 67747329
6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-prop-2-enylpyrimidine-2,4-dione
CID 22256580
1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491
6-(3,5-dimethylphenoxy)-5-ethyl-3-[(E)-4-hydroxybut-2-enyl]-1H-pyrimidine-2,4-dione
CID 67747738
3-[(3,5-dibromophenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethyl-1H-pyrimidine-2,4-dione
CID 70206266
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylphenoxy)-N-(3-methylbutyl)propanamide
CID 35553555
5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
CID 13014883

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione (CID 142630502) is 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione is CCCCn1c(Oc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
The InChIKey is AVLQFHGDTVNLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-7-8-20-17(15(6-2)16(21)19-18(20)22)23-14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3,(H,19,21,22).
What are the key properties of 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione?
1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 142630502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).