N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C14H17N5O — CID 56918778

IUPACN-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2ccco2)c2cnn(C)c2n1
InChIInChI=1S/C14H17N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,17,18)
InChIKeyPWFCNMIVDDCYAU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.52
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56918778) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56918778
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2ccco2)c2cnn(C)c2n1
InChIInChI=1S/C14H17N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,17,18)
InChIKeyPWFCNMIVDDCYAU-UHFFFAOYSA-N
XLogP2.52
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42670663
1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70725779
3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine
CID 43816131
1-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70763888
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70754083
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890808
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732532
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
6-N-ethyl-1-methyl-4-N-[(2-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 146059695
(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95717074
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220353

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56918778) is N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2ccco2)c2cnn(C)c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PWFCNMIVDDCYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,17,18).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.52, 5 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-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56918778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).