4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine

C15H18F2N4 — CID 80985293

IUPAC4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C15H18F2N4/c1-3-13-20-14(18)9(2)15(21-13)19-5-4-10-6-11(16)8-12(17)7-10/h6-8H,3-5H2,1-2H3,(H3,18,19,20,21)
InChIKeyYUJVYQWOMGMFDQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.86
Rot. Bonds5

About 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985293) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985293
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C15H18F2N4/c1-3-13-20-14(18)9(2)15(21-13)19-5-4-10-6-11(16)8-12(17)7-10/h6-8H,3-5H2,1-2H3,(H3,18,19,20,21)
InChIKeyYUJVYQWOMGMFDQ-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80985293) is 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is YUJVYQWOMGMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-3-13-20-14(18)9(2)15(21-13)19-5-4-10-6-11(16)8-12(17)7-10/h6-8H,3-5H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).