6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine

C14H17FN4 — CID 80825643

IUPAC6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(F)c(C)c2)nc(C)n1
InChIInChI=1S/C14H17FN4/c1-4-16-13-8-14(18-10(3)17-13)19-11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyAQILXCLWBQIBMT-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.41
Rot. Bonds4

About 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 80825643) 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-3-methylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID80825643
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(F)c(C)c2)nc(C)n1
InChIInChI=1S/C14H17FN4/c1-4-16-13-8-14(18-10(3)17-13)19-11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyAQILXCLWBQIBMT-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

2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(2-fluorophenyl)acetamide
CID 122324278
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine (CID 80825643) is 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(F)c(C)c2)nc(C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is AQILXCLWBQIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-16-13-8-14(18-10(3)17-13)19-11-5-6-12(15)9(2)7-11/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-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-3-methylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).