5-(3,5-difluorophenyl)pyrimidine-2,4-diamine

C10H8F2N4 — CID 69114772

IUPAC5-(3,5-difluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(F)cc(F)c2)c(N)n1
InChIInChI=1S/C10H8F2N4/c11-6-1-5(2-7(12)3-6)8-4-15-10(14)16-9(8)13/h1-4H,(H4,13,14,15,16)
InChIKeyJZZOUMUFAWDMCX-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.59
Rot. Bonds1

About 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine

5-(3,5-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 69114772) has the molecular formula C10H8F2N4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID69114772
Molecular FormulaC10H8F2N4
Molecular Weight222.20 g/mol
Exact Mass222.07
IUPAC Name5-(3,5-difluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(F)cc(F)c2)c(N)n1
InChIInChI=1S/C10H8F2N4/c11-6-1-5(2-7(12)3-6)8-4-15-10(14)16-9(8)13/h1-4H,(H4,13,14,15,16)
InChIKeyJZZOUMUFAWDMCX-UHFFFAOYSA-N
XLogP1.59
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine (CID 69114772) is 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine is Nc1ncc(-c2cc(F)cc(F)c2)c(N)n1.
What is the InChIKey of 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is JZZOUMUFAWDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4/c11-6-1-5(2-7(12)3-6)8-4-15-10(14)16-9(8)13/h1-4H,(H4,13,14,15,16).
What are the key properties of 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine?
5-(3,5-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 222.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69114772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).