6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine

C14H17FN4 — CID 80761579

IUPAC6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(F)cc2C)c1C
InChIInChI=1S/C14H17FN4/c1-4-16-13-10(3)14(18-8-17-13)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyFDVTWLJYPXXQHJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.41
Rot. Bonds4

About 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80761579) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80761579
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(F)cc2C)c1C
InChIInChI=1S/C14H17FN4/c1-4-16-13-10(3)14(18-8-17-13)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyFDVTWLJYPXXQHJ-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

6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
6-N-ethyl-5-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80856039
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647096
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
3-bromo-4-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]benzonitrile
CID 107795355
6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80761579) is 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccc(F)cc2C)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is FDVTWLJYPXXQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-16-13-10(3)14(18-8-17-13)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-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 6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).