4-N-(2-fluorophenyl)pyrimidine-2,4-diamine

C10H9FN4 — CID 80761249

IUPAC4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccccc2F)n1
InChIInChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)14-9-5-6-13-10(12)15-9/h1-6H,(H3,12,13,14,15)
InChIKeyXVCLIGKSZVYKDX-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.94
Rot. Bonds2

About 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine

4-N-(2-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80761249) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80761249
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccccc2F)n1
InChIInChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)14-9-5-6-13-10(12)15-9/h1-6H,(H3,12,13,14,15)
InChIKeyXVCLIGKSZVYKDX-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107531781
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
2-[[4-(2-fluoroanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702147
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903448
4-N-(1H-isoindol-4-yl)pyrimidine-2,4-diamine
CID 158484232
N-(2-fluorophenyl)-6-methylpyridin-2-amine
CID 142686342
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine (CID 80761249) is 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is XVCLIGKSZVYKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-7-3-1-2-4-8(7)14-9-5-6-13-10(12)15-9/h1-6H,(H3,12,13,14,15).
What are the key properties of 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 204.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80761249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).