2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine

C12H12F2N4 — CID 55093624

IUPAC2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCCc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-16-12-17-6-11(15)7-18-12/h3-7H,1-2,15H2,(H,16,17,18)
InChIKeyDFHPUEOBGKLLTM-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.99
Rot. Bonds4

About 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine

2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine (PubChem CID 55093624) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
PubChem CID55093624
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCCc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-16-12-17-6-11(15)7-18-12/h3-7H,1-2,15H2,(H,16,17,18)
InChIKeyDFHPUEOBGKLLTM-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine (CID 55093624) is 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine is Nc1cnc(NCCc2cc(F)cc(F)c2)nc1.
What is the InChIKey of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine?
The InChIKey is DFHPUEOBGKLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-16-12-17-6-11(15)7-18-12/h3-7H,1-2,15H2,(H,16,17,18).
What are the key properties of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine?
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine has a molecular weight of 250.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 55093624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).