2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

C14H13F2N3 — CID 107514638

IUPAC2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C3CC3)n2)c(F)c1F
InChIInChI=1S/C14H13F2N3/c1-7-2-5-9(13(16)12(7)15)10-6-11(17)19-14(18-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,17,18,19)
InChIKeyVWXXPUQJWAGXOD-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.19
Rot. Bonds2

About 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 107514638) has the molecular formula C14H13F2N3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID107514638
Molecular FormulaC14H13F2N3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C3CC3)n2)c(F)c1F
InChIInChI=1S/C14H13F2N3/c1-7-2-5-9(13(16)12(7)15)10-6-11(17)19-14(18-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,17,18,19)
InChIKeyVWXXPUQJWAGXOD-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (CID 107514638) is 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2cc(N)nc(C3CC3)n2)c(F)c1F.
What is the InChIKey of 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is VWXXPUQJWAGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c1-7-2-5-9(13(16)12(7)15)10-6-11(17)19-14(18-10)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107514638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).