6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H18N4O3 — CID 122561032

IUPAC6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCN(Cc1cnc2c(C(=O)O)cnn2c1)CC1(C)COC1
InChIInChI=1S/C14H18N4O3/c1-14(8-21-9-14)7-17(2)5-10-3-15-12-11(13(19)20)4-16-18(12)6-10/h3-4,6H,5,7-9H2,1-2H3,(H,19,20)
InChIKeyXKABHPSMWKJSAE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.90
Rot. Bonds5

About 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 122561032) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID122561032
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCN(Cc1cnc2c(C(=O)O)cnn2c1)CC1(C)COC1
InChIInChI=1S/C14H18N4O3/c1-14(8-21-9-14)7-17(2)5-10-3-15-12-11(13(19)20)4-16-18(12)6-10/h3-4,6H,5,7-9H2,1-2H3,(H,19,20)
InChIKeyXKABHPSMWKJSAE-UHFFFAOYSA-N
XLogP0.90
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 122561032) is 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CN(Cc1cnc2c(C(=O)O)cnn2c1)CC1(C)COC1.
What is the InChIKey of 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is XKABHPSMWKJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(8-21-9-14)7-17(2)5-10-3-15-12-11(13(19)20)4-16-18(12)6-10/h3-4,6H,5,7-9H2,1-2H3,(H,19,20).
What are the key properties of 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 122561032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).