4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine

C13H15FN4 — CID 80817689

IUPAC4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1F)c1nc(N)ncc1C
InChIInChI=1S/C13H15FN4/c1-3-18(11-7-5-4-6-10(11)14)12-9(2)8-16-13(15)17-12/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeySGHRMQZSECXPIT-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.66
Rot. Bonds3

About 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine

4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80817689) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80817689
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1F)c1nc(N)ncc1C
InChIInChI=1S/C13H15FN4/c1-3-18(11-7-5-4-6-10(11)14)12-9(2)8-16-13(15)17-12/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeySGHRMQZSECXPIT-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 80756179
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
CID 113367248
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
CID 63023431
4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984714
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
8-N-ethyl-8-N-(2-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80817464
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine (CID 80817689) is 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine is CCN(c1ccccc1F)c1nc(N)ncc1C.
What is the InChIKey of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is SGHRMQZSECXPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-18(11-7-5-4-6-10(11)14)12-9(2)8-16-13(15)17-12/h4-8H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).