4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C17H15F3N4O — CID 112915228

IUPAC4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O/c1-11-9-15(21-10-12-5-4-8-25-12)24-16(22-11)23-14-7-3-2-6-13(14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeySPNLCABUGXGUNZ-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.75
Rot. Bonds5

About 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112915228) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112915228
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O/c1-11-9-15(21-10-12-5-4-8-25-12)24-16(22-11)23-14-7-3-2-6-13(14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeySPNLCABUGXGUNZ-UHFFFAOYSA-N
XLogP4.75
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112915195
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915282
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912524
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112915228) is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(NCc2ccco2)nc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SPNLCABUGXGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-11-9-15(21-10-12-5-4-8-25-12)24-16(22-11)23-14-7-3-2-6-13(14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 348.33 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112915228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).