4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one

C13H14N2O4 — CID 135754689

IUPAC4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]cn2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-10-4-8(5-11(18-2)13(10)19-3)9-6-12(16)15-7-14-9/h4-7H,1-3H3,(H,14,15,16)
InChIKeyBWSDDWCSNYQERP-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.46
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one

4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135754689) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135754689
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]cn2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-10-4-8(5-11(18-2)13(10)19-3)9-6-12(16)15-7-14-9/h4-7H,1-3H3,(H,14,15,16)
InChIKeyBWSDDWCSNYQERP-UHFFFAOYSA-N
XLogP1.46
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-Cyano-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}but-2-enamide
CID 3236465
2-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122393958
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 136140390
5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726115
2-amino-6-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile
CID 135912060
2-Amino-6-(3,4-dimethoxyphenyl)pyrimidin-4-ol
CID 135981195
2-[(3,4,5-trimethoxybenzyl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136240502
4-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 172437224
2-(Dimethylamino)-7-[(3,4,5-trimethoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665486
3,5-Dimethoxy-4-hydroxybenzylidene imidazolinone
CID 136591209
4(1H)-Pyrimidinone, 2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]-
CID 135483767
4(1H)-Pyrimidinone, 2-butoxy-6-((3,4,5-trimethoxyphenyl)methyl)-
CID 135538687

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one (CID 135754689) is 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one is COc1cc(-c2cc(=O)[nH]cn2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is BWSDDWCSNYQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-10-4-8(5-11(18-2)13(10)19-3)9-6-12(16)15-7-14-9/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one?
4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 262.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135754689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).