4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine

C14H11ClF2N2O — CID 80974330

IUPAC4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H11ClF2N2O/c1-7-12(15)18-13(8-2-3-8)19-14(7)20-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3H2,1H3
InChIKeyZMHPPZJXNRINRR-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.39
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine (PubChem CID 80974330) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
PubChem CID80974330
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H11ClF2N2O/c1-7-12(15)18-13(8-2-3-8)19-14(7)20-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3H2,1H3
InChIKeyZMHPPZJXNRINRR-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 63735740
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
CID 82004865
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine (CID 80974330) is 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The InChIKey is ZMHPPZJXNRINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-7-12(15)18-13(8-2-3-8)19-14(7)20-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine has a molecular weight of 296.70 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 80974330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).