4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine

C11H10ClFN4 — CID 107531796

IUPAC4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H10ClFN4/c1-6-10(14)15-5-16-11(6)17-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYYVVYPOPRLEZFD-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.90
Rot. Bonds2

About 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine

4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 107531796) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID107531796
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H10ClFN4/c1-6-10(14)15-5-16-11(6)17-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYYVVYPOPRLEZFD-UHFFFAOYSA-N
XLogP2.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
2-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80840403

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine (CID 107531796) is 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)ncnc1Nc1cc(F)ccc1Cl.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is YYVVYPOPRLEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-6-10(14)15-5-16-11(6)17-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 252.68 g/mol, XLogP of 2.90, 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)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107531796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).