6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H21N7O — CID 56907630

IUPAC6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc(NC(C)Cc2cc(C)[nH]n2)c2cnn(C)c2n1
InChIInChI=1S/C15H21N7O/c1-9(5-11-6-10(2)20-21-11)17-14-12-7-16-22(3)15(12)19-13(18-14)8-23-4/h6-7,9H,5,8H2,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyDZGLGQATSHOPCP-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.58
Rot. Bonds6

About 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56907630) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56907630
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc(NC(C)Cc2cc(C)[nH]n2)c2cnn(C)c2n1
InChIInChI=1S/C15H21N7O/c1-9(5-11-6-10(2)20-21-11)17-14-12-7-16-22(3)15(12)19-13(18-14)8-23-4/h6-7,9H,5,8H2,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyDZGLGQATSHOPCP-UHFFFAOYSA-N
XLogP1.58
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56907630) is 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COCc1nc(NC(C)Cc2cc(C)[nH]n2)c2cnn(C)c2n1.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DZGLGQATSHOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-9(5-11-6-10(2)20-21-11)17-14-12-7-16-22(3)15(12)19-13(18-14)8-23-4/h6-7,9H,5,8H2,1-4H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56907630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).