(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine

C9H12N4 — CID 104621808

IUPAC(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCc1nn2cc(CN)cnc2c1C
InChIInChI=1S/C9H12N4/c1-6-7(2)12-13-5-8(3-10)4-11-9(6)13/h4-5H,3,10H2,1-2H3
InChIKeyVKCACIHXWADRNN-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.80
Rot. Bonds1

About (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine

(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine (PubChem CID 104621808) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
PubChem CID104621808
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCc1nn2cc(CN)cnc2c1C
InChIInChI=1S/C9H12N4/c1-6-7(2)12-13-5-8(3-10)4-11-9(6)13/h4-5H,3,10H2,1-2H3
InChIKeyVKCACIHXWADRNN-UHFFFAOYSA-N
XLogP0.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 104621807
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 3-(4-methylphenyl)sulfanylpropanoate
CID 86881288
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 2-(4-chlorophenoxy)propanoate
CID 86890537
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
2,7,8-trimethylpyrazolo[1,5-a][1,3,5]triazine
CID 18721915
2,6,7,8-tetramethylimidazo[1,2-b]pyridazine
CID 59016880
3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
CID 84710228
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84662755
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126763838
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82502822
[6-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 165472914

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine?
The IUPAC name of (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine (CID 104621808) is (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine.
What is the SMILES notation for (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine?
The canonical SMILES for (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine is Cc1nn2cc(CN)cnc2c1C.
What is the InChIKey of (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine?
The InChIKey is VKCACIHXWADRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-7(2)12-13-5-8(3-10)4-11-9(6)13/h4-5H,3,10H2,1-2H3.
What are the key properties of (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine?
(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine is sourced from PubChem (CID 104621808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).