2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine

C14H15F2N3 — CID 115528416

IUPAC2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C14H15F2N3/c1-8(2)11-7-12(17)19-14(18-11)10-5-3-4-9(6-10)13(15)16/h3-8,13H,1-2H3,(H2,17,18,19)
InChIKeyIHSVVSQXKUQOCR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.79
Rot. Bonds3

About 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine

2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 115528416) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID115528416
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C14H15F2N3/c1-8(2)11-7-12(17)19-14(18-11)10-5-3-4-9(6-10)13(15)16/h3-8,13H,1-2H3,(H2,17,18,19)
InChIKeyIHSVVSQXKUQOCR-UHFFFAOYSA-N
XLogP3.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191035
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191916
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62201941
6-propan-2-yl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62191558
2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 62203179
2-[3-(difluoromethyl)phenyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 137012797
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine (CID 115528416) is 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(-c2cccc(C(F)F)c2)n1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is IHSVVSQXKUQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8(2)11-7-12(17)19-14(18-11)10-5-3-4-9(6-10)13(15)16/h3-8,13H,1-2H3,(H2,17,18,19).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine?
2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115528416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).