2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid

C10H13N5O2 — CID 122064944

IUPAC2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1ncnc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H13N5O2/c1-6(10(16)17)4-15(2)9-7-3-13-14-8(7)11-5-12-9/h3,5-6H,4H2,1-2H3,(H,16,17)(H,11,12,13,14)
InChIKeyNXRVVYGOABTJDB-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.51
Rot. Bonds4

About 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid

2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 122064944) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID122064944
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1ncnc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H13N5O2/c1-6(10(16)17)4-15(2)9-7-3-13-14-8(7)11-5-12-9/h3,5-6H,4H2,1-2H3,(H,16,17)(H,11,12,13,14)
InChIKeyNXRVVYGOABTJDB-UHFFFAOYSA-N
XLogP0.51
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133276812
N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 178106094
3-[(8-fluoroquinazolin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064764
N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 167952507
(2S)-2-methyl-3-[methyl-(5-phenylpyrimidin-4-yl)amino]propanoic acid
CID 164637169
3-[[5-iodo-6-(2-methylpropyl)pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064734
(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
CID 122050367
2-methyl-3-[methyl-(5-nitro-1H-pyrazol-4-yl)amino]propanoic acid
CID 114995663
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
methyl (2S)-3-[(6,7-difluoroquinazolin-4-yl)-methylamino]-2-methylpropanoate
CID 97325347
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid (CID 122064944) is 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid is CC(CN(C)c1ncnc2[nH]ncc12)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is NXRVVYGOABTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6(10(16)17)4-15(2)9-7-3-13-14-8(7)11-5-12-9/h3,5-6H,4H2,1-2H3,(H,16,17)(H,11,12,13,14).
What are the key properties of 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 235.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122064944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).