4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine

C8H8N4O — CID 104791061

IUPAC4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
SMILESCc1occc1-c1ncnc(N)n1
InChIInChI=1S/C8H8N4O/c1-5-6(2-3-13-5)7-10-4-11-8(9)12-7/h2-4H,1H3,(H2,9,10,11,12)
InChIKeyRHJJRNNUZJCJBV-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.02
Rot. Bonds1

About 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine

4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine (PubChem CID 104791061) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
PubChem CID104791061
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
SMILESCc1occc1-c1ncnc(N)n1
InChIInChI=1S/C8H8N4O/c1-5-6(2-3-13-5)7-10-4-11-8(9)12-7/h2-4H,1H3,(H2,9,10,11,12)
InChIKeyRHJJRNNUZJCJBV-UHFFFAOYSA-N
XLogP1.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
4-(2-methylfuran-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 104791064
4-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 63868713
4-cyclopropyl-6-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791065
4-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867122
4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879019
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
CID 104790809
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
CID 112683901
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine (CID 104791061) is 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine is Cc1occc1-c1ncnc(N)n1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is RHJJRNNUZJCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-6(2-3-13-5)7-10-4-11-8(9)12-7/h2-4H,1H3,(H2,9,10,11,12).
What are the key properties of 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine?
4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 176.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 104791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).