4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine

C18H15ClFN3O — CID 148649359

IUPAC4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine
SMILESFc1cnc(OCc2ccccn2)nc1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O/c19-14-7-4-13(5-8-14)6-9-17-16(20)11-22-18(23-17)24-12-15-3-1-2-10-21-15/h1-5,7-8,10-11H,6,9,12H2
InChIKeyNLPTVLQELZDWKN-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.03
Rot. Bonds6

About 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine

4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine (PubChem CID 148649359) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine
PubChem CID148649359
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine
SMILESFc1cnc(OCc2ccccn2)nc1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O/c19-14-7-4-13(5-8-14)6-9-17-16(20)11-22-18(23-17)24-12-15-3-1-2-10-21-15/h1-5,7-8,10-11H,6,9,12H2
InChIKeyNLPTVLQELZDWKN-UHFFFAOYSA-N
XLogP4.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(Benzyloxy)methyl]-5-(4-{[(2-chloropyridin-4-yl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11339816
Bis-(4-chloro-phenyl)-pyrimidin-4-yl-methanol
CID 44356744
4-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
CID 1487612
(4-Chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
CID 56669318
2-(4-Chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
CID 56862652
(4-Chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
CID 56672768
(4-Chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
CID 56676127
(4-Chloro-2-fluorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
CID 56679068
4-[4-(4-Chlorophenyl)-6-pyridin-4-ylpyrimidin-2-yl]morpholine
CID 44390920
(4-Chlorophenyl)(2-(pyridin-2-yl)pyrimidin-4-yl)methanol
CID 44410649
2-(4-Chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
CID 56867372
4-(4-Chloro-2-fluorophenyl)-2-[4-(dimethoxymethyl)phenyl]pyrimidine
CID 102444240

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine (CID 148649359) is 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine is Fc1cnc(OCc2ccccn2)nc1CCc1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine?
The InChIKey is NLPTVLQELZDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-14-7-4-13(5-8-14)6-9-17-16(20)11-22-18(23-17)24-12-15-3-1-2-10-21-15/h1-5,7-8,10-11H,6,9,12H2.
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine?
4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine has a molecular weight of 343.79 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-(pyridin-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 148649359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).