2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol

C19H19N3O4 — CID 4896012

IUPAC2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H19N3O4/c1-24-12-5-6-13(15(23)9-12)18-14(10-21-19(20)22-18)11-4-7-16(25-2)17(8-11)26-3/h4-10,23H,1-3H3,(H2,20,21,22)
InChIKeyWZKHNRPLHVOYTK-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol

2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 4896012) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID4896012
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H19N3O4/c1-24-12-5-6-13(15(23)9-12)18-14(10-21-19(20)22-18)11-4-7-16(25-2)17(8-11)26-3/h4-10,23H,1-3H3,(H2,20,21,22)
InChIKeyWZKHNRPLHVOYTK-UHFFFAOYSA-N
XLogP3.12
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Trimethoprim
CID 5578
Tetroxoprim
CID 65450
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
Alpha-Hydroxytrimethoprim
CID 44362947
K02288
CID 46173038
2-[5-(4-Chlorophenyl)-2-methylpyrimidin-4-yl]-5-methoxyphenol
CID 1966704
2-[5-(4-Chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 1996860
3-Demethyltrimethoprim
CID 12849769
2-Desamino-2-methylamino trimethoprim
CID 44296584
5-(3-Ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10365962
2,4-Diamino-5-[3,5-dimethoxy-4-[p-aminophenoxy]benzyl]pyrimidine
CID 632637
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol (CID 4896012) is 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is WZKHNRPLHVOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-12-5-6-13(15(23)9-12)18-14(10-21-19(20)22-18)11-4-7-16(25-2)17(8-11)26-3/h4-10,23H,1-3H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 353.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 4896012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).