2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C16H13N5O — CID 127047851

IUPAC2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12
InChIInChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyWHRXEWMAKBKKKJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.72
Rot. Bonds3

About 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127047851) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127047851
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12
InChIInChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyWHRXEWMAKBKKKJ-UHFFFAOYSA-N
XLogP2.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127045701
2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171339
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
2-benzylindazole
CID 5045916
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
CID 59341302
(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 68871258

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127047851) is 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is WHRXEWMAKBKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19).
What are the key properties of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 291.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127047851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).