4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine

C19H17FN2O3 — CID 175424034

IUPAC4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(-c3ccc(OC)c(F)c3)n2)c(OC)c1
InChIInChI=1S/C19H17FN2O3/c1-23-13-5-6-14(18(11-13)25-3)16-8-9-21-19(22-16)12-4-7-17(24-2)15(20)10-12/h4-11H,1-3H3
InChIKeyLHDJCRSQDKLJDO-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.98
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine

4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 175424034) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID175424034
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(-c3ccc(OC)c(F)c3)n2)c(OC)c1
InChIInChI=1S/C19H17FN2O3/c1-23-13-5-6-14(18(11-13)25-3)16-8-9-21-19(22-16)12-4-7-17(24-2)15(20)10-12/h4-11H,1-3H3
InChIKeyLHDJCRSQDKLJDO-UHFFFAOYSA-N
XLogP3.98
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
CID 175424050
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
1-chloro-3-(3-fluoro-4-methoxyphenyl)-6-methoxyisoquinoline
CID 86683187
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine (CID 175424034) is 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine is COc1ccc(-c2ccnc(-c3ccc(OC)c(F)c3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is LHDJCRSQDKLJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-23-13-5-6-14(18(11-13)25-3)16-8-9-21-19(22-16)12-4-7-17(24-2)15(20)10-12/h4-11H,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 175424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).