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

Analyze 6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[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

Related Compounds

6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56899150
2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 56885919
6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56894827
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
6-tert-butyl-1-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95722949
6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95726265
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 95723879
4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 56890005
(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95713086
6-tert-butyl-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902389

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).