2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine

C14H13F2N3O — CID 80989930

IUPAC2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1F
InChIInChI=1S/C14H13F2N3O/c1-7-12(17)18-13(8-5-6-8)19-14(7)20-10-4-2-3-9(15)11(10)16/h2-4,8H,5-6H2,1H3,(H2,17,18,19)
InChIKeyJXCQSEVHMUCHGY-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80989930) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
PubChem CID80989930
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1F
InChIInChI=1S/C14H13F2N3O/c1-7-12(17)18-13(8-5-6-8)19-14(7)20-10-4-2-3-9(15)11(10)16/h2-4,8H,5-6H2,1H3,(H2,17,18,19)
InChIKeyJXCQSEVHMUCHGY-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
2-cyclopropyl-5-fluoroquinazolin-4-amine
CID 103624115
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine (CID 80989930) is 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1F.
What is the InChIKey of 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is JXCQSEVHMUCHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-7-12(17)18-13(8-5-6-8)19-14(7)20-10-4-2-3-9(15)11(10)16/h2-4,8H,5-6H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 277.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).