4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine

C12H12F2N4 — CID 80933085

IUPAC4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-2-11-17-10(15)6-12(18-11)16-9-4-7(13)3-8(14)5-9/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyLMGZCCLIGUJVRQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.64
Rot. Bonds3

About 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine

4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80933085) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80933085
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-2-11-17-10(15)6-12(18-11)16-9-4-7(13)3-8(14)5-9/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyLMGZCCLIGUJVRQ-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933746
2-ethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80941799
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
CID 80935033
4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934075
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine (CID 80933085) is 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is LMGZCCLIGUJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-2-11-17-10(15)6-12(18-11)16-9-4-7(13)3-8(14)5-9/h3-6H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).