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

C13H15FN4 — CID 80762563

IUPAC2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C13H15FN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeySNVGKMNIBWMFLE-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.10
Rot. Bonds4

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

2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80762563) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80762563
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C13H15FN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeySNVGKMNIBWMFLE-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927503
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine (CID 80762563) is 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine is CCNc1nccc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SNVGKMNIBWMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80762563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).