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

C11H10ClFN4 — CID 80761316

IUPAC5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H10ClFN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeySNGKBZPVLWUCQD-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.05
Rot. Bonds3

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

5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761316) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761316
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H10ClFN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeySNGKBZPVLWUCQD-UHFFFAOYSA-N
XLogP3.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
CID 80826861
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
5-chloro-4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80747944
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-chloro-2-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 167962163
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80761316) is 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is SNGKBZPVLWUCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 252.68 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).