6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C16H25N5O — CID 56886002

IUPAC6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC1(CNc2nc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C16H25N5O/c1-15(2,3)14-19-12(11-8-18-21(4)13(11)20-14)17-9-16(6-7-16)10-22-5/h8H,6-7,9-10H2,1-5H3,(H,17,19,20)
InChIKeyALPWDFKFPIDKEN-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.50
Rot. Bonds5

About 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56886002) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56886002
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC1(CNc2nc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C16H25N5O/c1-15(2,3)14-19-12(11-8-18-21(4)13(11)20-14)17-9-16(6-7-16)10-22-5/h8H,6-7,9-10H2,1-5H3,(H,17,19,20)
InChIKeyALPWDFKFPIDKEN-UHFFFAOYSA-N
XLogP2.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56886002) is 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCC1(CNc2nc(C(C)(C)C)nc3c2cnn3C)CC1.
What is the InChIKey of 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ALPWDFKFPIDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-15(2,3)14-19-12(11-8-18-21(4)13(11)20-14)17-9-16(6-7-16)10-22-5/h8H,6-7,9-10H2,1-5H3,(H,17,19,20).
What are the key properties of 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56886002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).