N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine

C13H14N6O — CID 123794199

IUPACN-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccn(-c2nc(C)nc(NCc3ccco3)n2)n1
InChIInChI=1S/C13H14N6O/c1-9-5-6-19(18-9)13-16-10(2)15-12(17-13)14-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,14,15,16,17)
InChIKeyVLHYWLFHBOWDLS-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.88
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine

N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 123794199) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID123794199
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccn(-c2nc(C)nc(NCc3ccco3)n2)n1
InChIInChI=1S/C13H14N6O/c1-9-5-6-19(18-9)13-16-10(2)15-12(17-13)14-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,14,15,16,17)
InChIKeyVLHYWLFHBOWDLS-UHFFFAOYSA-N
XLogP1.88
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-ethyl-N-(furan-2-ylmethyl)-5-methylpyrazol-3-amine
CID 122168955
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine (CID 123794199) is N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine is Cc1ccn(-c2nc(C)nc(NCc3ccco3)n2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VLHYWLFHBOWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9-5-6-19(18-9)13-16-10(2)15-12(17-13)14-8-11-4-3-7-20-11/h3-7H,8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine?
N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123794199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).