4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine

C10H8ClFN4 — CID 107531781

IUPAC4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(12)5-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyKNSFEQKXAAXDRF-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.59
Rot. Bonds2

About 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine

4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 107531781) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID107531781
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(12)5-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKeyKNSFEQKXAAXDRF-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine (CID 107531781) is 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is KNSFEQKXAAXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-2-1-6(12)5-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(2-chloro-5-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-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107531781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).