N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C12H13N5O — CID 110431893

IUPACN-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3ccco3)c12
InChIInChI=1S/C12H13N5O/c1-8-10-11(13-6-9-4-3-5-18-9)14-7-15-12(10)17(2)16-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyCMDZWOMZVGOYES-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.88
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431893) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431893
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3ccco3)c12
InChIInChI=1S/C12H13N5O/c1-8-10-11(13-6-9-4-3-5-18-9)14-7-15-12(10)17(2)16-8/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyCMDZWOMZVGOYES-UHFFFAOYSA-N
XLogP1.88
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431901
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237481
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
CID 142335220
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359688
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110431893) is N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCc3ccco3)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CMDZWOMZVGOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-10-11(13-6-9-4-3-5-18-9)14-7-15-12(10)17(2)16-8/h3-5,7H,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).