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

C14H22N6O — CID 63220654

IUPAC1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCOCC2)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-3-4-15-13-11-9-16-19(2)14(11)18-12(17-13)10-20-5-7-21-8-6-20/h9H,3-8,10H2,1-2H3,(H,15,17,18)
InChIKeyBPFSYOAWKWCBCY-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.02
Rot. Bonds5

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

1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220654) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220654
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCOCC2)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-3-4-15-13-11-9-16-19(2)14(11)18-12(17-13)10-20-5-7-21-8-6-20/h9H,3-8,10H2,1-2H3,(H,15,17,18)
InChIKeyBPFSYOAWKWCBCY-UHFFFAOYSA-N
XLogP1.02
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220654) is 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(CN2CCOCC2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BPFSYOAWKWCBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-4-15-13-11-9-16-19(2)14(11)18-12(17-13)10-20-5-7-21-8-6-20/h9H,3-8,10H2,1-2H3,(H,15,17,18).
What are the key properties of 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).