4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

C16H25N5O — CID 138032046

IUPAC4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ncc2c(NCC3(O)CCCC(C)(C)CC3)ncnc21
InChIInChI=1S/C16H25N5O/c1-15(2)5-4-6-16(22,8-7-15)10-17-13-12-9-20-21(3)14(12)19-11-18-13/h9,11,22H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyYWELWSIQYSOUCP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.50
Rot. Bonds3

About 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 138032046) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID138032046
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ncc2c(NCC3(O)CCCC(C)(C)CC3)ncnc21
InChIInChI=1S/C16H25N5O/c1-15(2)5-4-6-16(22,8-7-15)10-17-13-12-9-20-21(3)14(12)19-11-18-13/h9,11,22H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyYWELWSIQYSOUCP-UHFFFAOYSA-N
XLogP2.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 105419063
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
CID 138989085
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-2,3-dihydrochromen-4-ol
CID 138989169
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62521331
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (CID 138032046) is 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is Cn1ncc2c(NCC3(O)CCCC(C)(C)CC3)ncnc21.
What is the InChIKey of 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is YWELWSIQYSOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-15(2)5-4-6-16(22,8-7-15)10-17-13-12-9-20-21(3)14(12)19-11-18-13/h9,11,22H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 138032046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).