6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine

C14H13ClFN3O — CID 80990831

IUPAC6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-9-4-5-11(16)10(15)6-9/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyVRSYRSTVHSATEE-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.83
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80990831) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80990831
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-9-4-5-11(16)10(15)6-9/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyVRSYRSTVHSATEE-UHFFFAOYSA-N
XLogP3.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
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-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80990831) is 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is VRSYRSTVHSATEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-9-4-5-11(16)10(15)6-9/h4-6,8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 293.73 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80990831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).