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

C18H17N5O2 — CID 127046050

IUPAC2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyTWUUVOAFXFRSQO-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.03
Rot. Bonds4

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

2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127046050) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127046050
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1
InChIInChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
InChIKeyTWUUVOAFXFRSQO-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127046050) is 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is TWUUVOAFXFRSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-[(3-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-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127046050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).