4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine

C15H14F3N5O — CID 31043842

IUPAC4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(CNc2nccc(-c3cnn(C)c3)n2)c(C(F)(F)F)o1
InChIInChI=1S/C15H14F3N5O/c1-9-5-10(13(24-9)15(16,17)18)6-20-14-19-4-3-12(22-14)11-7-21-23(2)8-11/h3-5,7-8H,6H2,1-2H3,(H,19,20,22)
InChIKeyTXLCNKIXOSSVSR-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.41
Rot. Bonds4

About 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine

4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine (PubChem CID 31043842) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine
PubChem CID31043842
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(CNc2nccc(-c3cnn(C)c3)n2)c(C(F)(F)F)o1
InChIInChI=1S/C15H14F3N5O/c1-9-5-10(13(24-9)15(16,17)18)6-20-14-19-4-3-12(22-14)11-7-21-23(2)8-11/h3-5,7-8H,6H2,1-2H3,(H,19,20,22)
InChIKeyTXLCNKIXOSSVSR-UHFFFAOYSA-N
XLogP3.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine (CID 31043842) is 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine is Cc1cc(CNc2nccc(-c3cnn(C)c3)n2)c(C(F)(F)F)o1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is TXLCNKIXOSSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-9-5-10(13(24-9)15(16,17)18)6-20-14-19-4-3-12(22-14)11-7-21-23(2)8-11/h3-5,7-8H,6H2,1-2H3,(H,19,20,22).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 337.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 31043842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).