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

C14H15F3N4 — CID 80956479

IUPAC6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(F)c2F)nc(C(C)C)n1
InChIInChI=1S/C14H15F3N4/c1-7(2)14-20-10(18-3)6-11(21-14)19-9-5-4-8(15)12(16)13(9)17/h4-7H,1-3H3,(H2,18,19,20,21)
InChIKeyCYGUOPSLTONXAJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.80
Rot. Bonds4

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

6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80956479) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID80956479
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(F)c2F)nc(C(C)C)n1
InChIInChI=1S/C14H15F3N4/c1-7(2)14-20-10(18-3)6-11(21-14)19-9-5-4-8(15)12(16)13(9)17/h4-7H,1-3H3,(H2,18,19,20,21)
InChIKeyCYGUOPSLTONXAJ-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.80
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
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955466
4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107371100
3-bromo-4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 107795247
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107614831
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
2-methyl-6-N-(3-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112877078

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 80956479) is 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is CNc1cc(Nc2ccc(F)c(F)c2F)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is CYGUOPSLTONXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-7(2)14-20-10(18-3)6-11(21-14)19-9-5-4-8(15)12(16)13(9)17/h4-7H,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80956479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).