6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

C14H15F3N4 — CID 80940244

IUPAC6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C14H15F3N4/c1-3-4-10-20-11(18-2)7-12(21-10)19-9-6-5-8(15)13(16)14(9)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyLLUWVPFWMYKGLF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.63
Rot. Bonds5

About 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80940244) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID80940244
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C14H15F3N4/c1-3-4-10-20-11(18-2)7-12(21-10)19-9-6-5-8(15)13(16)14(9)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyLLUWVPFWMYKGLF-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80933910
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 106761041
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 80940244) is 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is LLUWVPFWMYKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-4-10-20-11(18-2)7-12(21-10)19-9-6-5-8(15)13(16)14(9)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80940244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).