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

C10H8ClFN4 — CID 107526809

IUPAC4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(12)3-9(7)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyLBKOECBGWBYUNB-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.59
Rot. Bonds2

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

4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine (PubChem CID 107526809) 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-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
PubChem CID107526809
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(12)3-9(7)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyLBKOECBGWBYUNB-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-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
CID 79918000
4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 107530583
N-(2,5-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66342348
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
5-chloro-N-(2-chloro-5-fluorophenyl)pyridin-2-amine
CID 107531088
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine (CID 107526809) is 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1cc(F)ccc1Cl.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine?
The InChIKey is LBKOECBGWBYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-2-1-6(12)3-9(7)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine?
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-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-4,5-diamine is sourced from PubChem (CID 107526809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).