6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine

C13H12F4N4 — CID 107647096

IUPAC6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2c(F)c(F)cc(F)c2F)c1C
InChIInChI=1S/C13H12F4N4/c1-3-18-12-6(2)13(20-5-19-12)21-11-9(16)7(14)4-8(15)10(11)17/h4-5H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyPBNOERXCKGHIDH-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.52
Rot. Bonds4

About 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine (PubChem CID 107647096) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
PubChem CID107647096
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2c(F)c(F)cc(F)c2F)c1C
InChIInChI=1S/C13H12F4N4/c1-3-18-12-6(2)13(20-5-19-12)21-11-9(16)7(14)4-8(15)10(11)17/h4-5H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyPBNOERXCKGHIDH-UHFFFAOYSA-N
XLogP3.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-N-ethyl-5-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80856039
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine (CID 107647096) is 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine is CCNc1ncnc(Nc2c(F)c(F)cc(F)c2F)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is PBNOERXCKGHIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4/c1-3-18-12-6(2)13(20-5-19-12)21-11-9(16)7(14)4-8(15)10(11)17/h4-5H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 300.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107647096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).