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

C17H22N2O3 — CID 83954623

IUPAC6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-7-10-22-15-9-6-5-8-13(15)11-14-12(2)18-17(21)19-16(14)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyDFEBTFGFESKWEL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.53
Rot. Bonds7

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

6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 83954623) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID83954623
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-7-10-22-15-9-6-5-8-13(15)11-14-12(2)18-17(21)19-16(14)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyDFEBTFGFESKWEL-UHFFFAOYSA-N
XLogP2.53
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.53
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

5-[(2-butoxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83954528
1-ethyl-2-heptoxybenzene
CID 22723794
(2-hexoxyphenyl)methyl methanesulfonate
CID 90319134
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
(2-dodecoxyphenyl)methanesulfonic acid
CID 87286295
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
2-(2-pentoxyphenyl)ethanol
CID 91657515

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 83954623) is 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is CCCCCOc1ccccc1Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DFEBTFGFESKWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-4-7-10-22-15-9-6-5-8-13(15)11-14-12(2)18-17(21)19-16(14)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 302.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2-pentoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83954623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).