4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine

C11H12ClFN4 — CID 69003724

IUPAC4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=NC(N)(c2ccc(F)cc2Cl)C(N)=CN1
InChIInChI=1S/C11H12ClFN4/c1-6-16-5-10(14)11(15,17-6)8-3-2-7(13)4-9(8)12/h2-5H,14-15H2,1H3,(H,16,17)
InChIKeyZRJOENFDYKKVSZ-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.41
Rot. Bonds1

About 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine

4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine (PubChem CID 69003724) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
PubChem CID69003724
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=NC(N)(c2ccc(F)cc2Cl)C(N)=CN1
InChIInChI=1S/C11H12ClFN4/c1-6-16-5-10(14)11(15,17-6)8-3-2-7(13)4-9(8)12/h2-5H,14-15H2,1H3,(H,16,17)
InChIKeyZRJOENFDYKKVSZ-UHFFFAOYSA-N
XLogP1.41
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole
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[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
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5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242
2-chloro-4-fluoroaniline;3-chloro-4-methylaniline
CID 70284681
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
3-(2-chloro-4-fluorophenyl)-3-fluoro-1-methylpyrrolidine
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1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
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1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 142391765
1-(2-chloro-4-fluorophenyl)-2-ethylcyclopropan-1-ol
CID 79333044
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CID 62621053

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine (CID 69003724) is 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine is CC1=NC(N)(c2ccc(F)cc2Cl)C(N)=CN1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine?
The InChIKey is ZRJOENFDYKKVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-6-16-5-10(14)11(15,17-6)8-3-2-7(13)4-9(8)12/h2-5H,14-15H2,1H3,(H,16,17).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine?
4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine has a molecular weight of 254.70 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 69003724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).