4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

C18H17FN4 — CID 112865366

IUPAC4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H17FN4/c1-2-13-5-3-4-6-16(13)23-18-11-17(20-12-21-18)22-15-9-7-14(19)8-10-15/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyPIXPCJQSHFWUFE-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.67
Rot. Bonds5

About 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112865366) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112865366
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H17FN4/c1-2-13-5-3-4-6-16(13)23-18-11-17(20-12-21-18)22-15-9-7-14(19)8-10-15/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyPIXPCJQSHFWUFE-UHFFFAOYSA-N
XLogP4.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
methyl 3-[[6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865380
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine (CID 112865366) is 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is PIXPCJQSHFWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-2-13-5-3-4-6-16(13)23-18-11-17(20-12-21-18)22-15-9-7-14(19)8-10-15/h3-12H,2H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).