2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H15F2N3 — CID 115525281

IUPAC2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3/c1-3-11-8-12(17-2)19-14(18-11)10-6-4-9(5-7-10)13(15)16/h4-8,13H,3H2,1-2H3,(H,17,18,19)
InChIKeyNKPQRWIQIILKBF-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.69
Rot. Bonds4

About 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 115525281) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID115525281
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3/c1-3-11-8-12(17-2)19-14(18-11)10-6-4-9(5-7-10)13(15)16/h4-8,13H,3H2,1-2H3,(H,17,18,19)
InChIKeyNKPQRWIQIILKBF-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 115525281) is 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1cc(NC)nc(-c2ccc(C(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is NKPQRWIQIILKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-3-11-8-12(17-2)19-14(18-11)10-6-4-9(5-7-10)13(15)16/h4-8,13H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).