2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine

C11H9F2N3 — CID 115528420

IUPAC2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(6-7)11-15-5-4-9(14)16-11/h1-6,10H,(H2,14,15,16)
InChIKeyODGLUCAGOBMTQB-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.66
Rot. Bonds2

About 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine

2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 115528420) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID115528420
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(6-7)11-15-5-4-9(14)16-11/h1-6,10H,(H2,14,15,16)
InChIKeyODGLUCAGOBMTQB-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
CID 114522502
4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 171433762
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611
4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
CID 115528326

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine (CID 115528420) is 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine is Nc1ccnc(-c2cccc(C(F)F)c2)n1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ODGLUCAGOBMTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(6-7)11-15-5-4-9(14)16-11/h1-6,10H,(H2,14,15,16).
What are the key properties of 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine?
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 221.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 115528420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).