2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine

C11H9F2N3 — CID 115527383

IUPAC2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
SMILESNc1cnc(-c2cccc(C(F)F)c2)nc1
InChIInChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(4-7)11-15-5-9(14)6-16-11/h1-6,10H,14H2
InChIKeyQOGSMUJDJRBTPD-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.66
Rot. Bonds2

About 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine

2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine (PubChem CID 115527383) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
PubChem CID115527383
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
SMILESNc1cnc(-c2cccc(C(F)F)c2)nc1
InChIInChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(4-7)11-15-5-9(14)6-16-11/h1-6,10H,14H2
InChIKeyQOGSMUJDJRBTPD-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine (CID 115527383) is 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine is Nc1cnc(-c2cccc(C(F)F)c2)nc1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine?
The InChIKey is QOGSMUJDJRBTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-10(13)7-2-1-3-8(4-7)11-15-5-9(14)6-16-11/h1-6,10H,14H2.
What are the key properties of 2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine?
2-[3-(difluoromethyl)phenyl]pyrimidin-5-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-5-amine is sourced from PubChem (CID 115527383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).