4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine

C10H11ClF2N2O — CID 82004865

IUPAC4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCC(F)F
InChIInChI=1S/C10H11ClF2N2O/c1-5-8(11)14-9(6-2-3-6)15-10(5)16-4-7(12)13/h6-7H,2-4H2,1H3
InChIKeyFYINYYUMGDYHMQ-UHFFFAOYSA-N
MW248.66 g/mol
LogP2.96
Rot. Bonds4

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

4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine (PubChem CID 82004865) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
PubChem CID82004865
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCC(F)F
InChIInChI=1S/C10H11ClF2N2O/c1-5-8(11)14-9(6-2-3-6)15-10(5)16-4-7(12)13/h6-7H,2-4H2,1H3
InChIKeyFYINYYUMGDYHMQ-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
CID 103177522
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
CID 114470154
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80974516
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
CID 80972829
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80978828
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-(2,2-difluoroethoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine (CID 82004865) is 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1OCC(F)F.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine?
The InChIKey is FYINYYUMGDYHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-5-8(11)14-9(6-2-3-6)15-10(5)16-4-7(12)13/h6-7H,2-4H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine has a molecular weight of 248.66 g/mol, XLogP of 2.96, 4 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-(2,2-difluoroethoxy)-5-methylpyrimidine is sourced from PubChem (CID 82004865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).