1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid

C11H13N5O2 — CID 113312142

IUPAC1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCn1ncc2c(NCC3(C(=O)O)CC3)ncnc21
InChIInChI=1S/C11H13N5O2/c1-16-9-7(4-15-16)8(13-6-14-9)12-5-11(2-3-11)10(17)18/h4,6H,2-3,5H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyYYAICXPAJAKPJG-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.64
Rot. Bonds4

About 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312142) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312142
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCn1ncc2c(NCC3(C(=O)O)CC3)ncnc21
InChIInChI=1S/C11H13N5O2/c1-16-9-7(4-15-16)8(13-6-14-9)12-5-11(2-3-11)10(17)18/h4,6H,2-3,5H2,1H3,(H,17,18)(H,12,13,14)
InChIKeyYYAICXPAJAKPJG-UHFFFAOYSA-N
XLogP0.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
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)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 138032046
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62521331
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66005488
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312142) is 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid is Cn1ncc2c(NCC3(C(=O)O)CC3)ncnc21.
What is the InChIKey of 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YYAICXPAJAKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-9-7(4-15-16)8(13-6-14-9)12-5-11(2-3-11)10(17)18/h4,6H,2-3,5H2,1H3,(H,17,18)(H,12,13,14).
What are the key properties of 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).