4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C14H17FN4 — CID 80762179

IUPAC4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17FN4/c1-4-16-14-17-8-11(15)13(19-14)18-12-7-5-6-9(2)10(12)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyJYRDEELRHSOGCH-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.41
Rot. Bonds4

About 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80762179) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80762179
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17FN4/c1-4-16-14-17-8-11(15)13(19-14)18-12-7-5-6-9(2)10(12)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyJYRDEELRHSOGCH-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 107580670
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
4-N-(4-tert-butylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736680
N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
CID 745183

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80762179) is 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is JYRDEELRHSOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-16-14-17-8-11(15)13(19-14)18-12-7-5-6-9(2)10(12)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80762179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).