2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol

C19H20N2O3 — CID 70977692

IUPAC2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol
SMILESCCC1=NC(O)=C(O)CN1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-2-18-20-19(23)17(22)12-21(18)15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,22-23H,2,12-13H2,1H3
InChIKeyCCGMGXDBYGPTMQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.18
Rot. Bonds5

About 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol

2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70977692) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol
PubChem CID70977692
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol
SMILESCCC1=NC(O)=C(O)CN1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-2-18-20-19(23)17(22)12-21(18)15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,22-23H,2,12-13H2,1H3
InChIKeyCCGMGXDBYGPTMQ-UHFFFAOYSA-N
XLogP4.18
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-hydroxy-1-(3-phenylmethoxyphenyl)-4,6-dihydropyrimidin-5-one
CID 123159516
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CID 58977798
1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
CID 24797907
5-imino-1-(3-phenylmethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 136726022
4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
CID 70911020
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
2-(3-phenylmethoxyphenyl)tetrazole
CID 54488600
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol (CID 70977692) is 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol is CCC1=NC(O)=C(O)CN1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is CCGMGXDBYGPTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-18-20-19(23)17(22)12-21(18)15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,22-23H,2,12-13H2,1H3.
What are the key properties of 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol?
2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 324.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-phenylmethoxyphenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70977692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).