4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile

C15H12ClN3O — CID 80974217

IUPAC4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(C#N)cc1
InChIInChI=1S/C15H12ClN3O/c1-9-13(16)18-14(11-4-5-11)19-15(9)20-12-6-2-10(8-17)3-7-12/h2-3,6-7,11H,4-5H2,1H3
InChIKeyHGPDMCMKXUBQOF-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.98
Rot. Bonds3

About 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile

4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80974217) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80974217
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(C#N)cc1
InChIInChI=1S/C15H12ClN3O/c1-9-13(16)18-14(11-4-5-11)19-15(9)20-12-6-2-10(8-17)3-7-12/h2-3,6-7,11H,4-5H2,1H3
InChIKeyHGPDMCMKXUBQOF-UHFFFAOYSA-N
XLogP3.98
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile (CID 80974217) is 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile is Cc1c(Cl)nc(C2CC2)nc1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is HGPDMCMKXUBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-13(16)18-14(11-4-5-11)19-15(9)20-12-6-2-10(8-17)3-7-12/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 285.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80974217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).