2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C18H17N5O2 — CID 127046496

IUPAC2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1
InChIInChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyISSQUAKPAHUUNQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.03
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127046496) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127046496
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1
InChIInChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyISSQUAKPAHUUNQ-UHFFFAOYSA-N
XLogP3.03
TPSA91.99 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
(11C)Sch 442416
CID 11794633
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505670
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135530119
3-(2-fluorophenyl)-7-(furan-3-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9908469
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 10791347
1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea
CID 10905184
1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea
CID 10905799
1-[4-(Furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 10938608

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127046496) is 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is ISSQUAKPAHUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 335.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127046496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).