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

C13H14F2N4 — CID 80976181

IUPAC4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H14F2N4/c1-3-11-18-12(16)7(2)13(19-11)17-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H3,16,17,18,19)
InChIKeyUAOWFZPIQDFKEH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.95
Rot. Bonds3

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

4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80976181) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80976181
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H14F2N4/c1-3-11-18-12(16)7(2)13(19-11)17-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H3,16,17,18,19)
InChIKeyUAOWFZPIQDFKEH-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 102855436
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80982732
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80976181) is 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2cc(F)ccc2F)n1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is UAOWFZPIQDFKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-3-11-18-12(16)7(2)13(19-11)17-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 264.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).