N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C19H23N5O3 — CID 70754083

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2cc3c(cc2OC)OCCO3)c2cnn(C)c2n1
InChIInChI=1S/C19H23N5O3/c1-4-5-17-22-18(13-11-21-24(2)19(13)23-17)20-10-12-8-15-16(9-14(12)25-3)27-7-6-26-15/h8-9,11H,4-7,10H2,1-3H3,(H,20,22,23)
InChIKeyIMQQREOVEWEVGB-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.71
Rot. Bonds6

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70754083) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70754083
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2cc3c(cc2OC)OCCO3)c2cnn(C)c2n1
InChIInChI=1S/C19H23N5O3/c1-4-5-17-22-18(13-11-21-24(2)19(13)23-17)20-10-12-8-15-16(9-14(12)25-3)27-7-6-26-15/h8-9,11H,4-7,10H2,1-3H3,(H,20,22,23)
InChIKeyIMQQREOVEWEVGB-UHFFFAOYSA-N
XLogP2.71
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70754083) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2cc3c(cc2OC)OCCO3)c2cnn(C)c2n1.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IMQQREOVEWEVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-5-17-22-18(13-11-21-24(2)19(13)23-17)20-10-12-8-15-16(9-14(12)25-3)27-7-6-26-15/h8-9,11H,4-7,10H2,1-3H3,(H,20,22,23).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70754083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).