5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C16H20N2O3 — CID 83954528

IUPAC5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-3-4-9-21-14-8-6-5-7-12(14)10-13-11(2)17-16(20)18-15(13)19/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTGXIZJIGLAUTH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.14
Rot. Bonds6

About 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 83954528) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID83954528
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-3-4-9-21-14-8-6-5-7-12(14)10-13-11(2)17-16(20)18-15(13)19/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyVTGXIZJIGLAUTH-UHFFFAOYSA-N
XLogP2.14
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 83954623
1-ethyl-2-heptoxybenzene
CID 22723794
1-(2-butoxyphenyl)propan-2-one
CID 82161473
5-[(4-butoxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83951954
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
(2-hexoxyphenyl)methyl methanesulfonate
CID 90319134
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 110526268
(2-butoxyphenyl)methyliminotitanium
CID 87197338
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
(2-butoxyphenyl)methyl-ethylazanium
CID 7378012
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 83954528) is 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is CCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VTGXIZJIGLAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-9-21-14-8-6-5-7-12(14)10-13-11(2)17-16(20)18-15(13)19/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83954528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).