2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H17N5O2 — CID 20961709

IUPAC2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(C)cc1Nc1cc(C)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H17N5O2/c1-11-6-7-14(24-3)13(9-11)20-16-10-12(2)19-18-21-17(22-23(16)18)15-5-4-8-25-15/h4-10,20H,1-3H3
InChIKeyJFVWWPFXWOCKFW-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.75
Rot. Bonds4

About 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20961709) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID20961709
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(C)cc1Nc1cc(C)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H17N5O2/c1-11-6-7-14(24-3)13(9-11)20-16-10-12(2)19-18-21-17(22-23(16)18)15-5-4-8-25-15/h4-10,20H,1-3H3
InChIKeyJFVWWPFXWOCKFW-UHFFFAOYSA-N
XLogP3.75
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800345
N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961756
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 11778609
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961774
2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961786
2-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961755
2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608695
5-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575555
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 18960655
2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800291

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 20961709) is 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(C)cc1Nc1cc(C)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JFVWWPFXWOCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-6-7-14(24-3)13(9-11)20-16-10-12(2)19-18-21-17(22-23(16)18)15-5-4-8-25-15/h4-10,20H,1-3H3.
What are the key properties of 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20961709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).