4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine

C10H8ClFN4 — CID 80755292

IUPAC4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-7-5-6(1-2-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyTWXLHFOCXOZDJZ-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.59
Rot. Bonds2

About 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine

4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80755292) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80755292
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4/c11-7-5-6(1-2-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyTWXLHFOCXOZDJZ-UHFFFAOYSA-N
XLogP2.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904153
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
4-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 86624104
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904136
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107531781
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-[4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]pyrimidine-2,4-diamine
CID 59740982
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904127

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine (CID 80755292) is 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is TWXLHFOCXOZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-5-6(1-2-8(7)12)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 238.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80755292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).