N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C11H16N4 — CID 104621807

IUPACN-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCCNCc1cnc2c(C)c(C)nn2c1
InChIInChI=1S/C11H16N4/c1-4-12-5-10-6-13-11-8(2)9(3)14-15(11)7-10/h6-7,12H,4-5H2,1-3H3
InChIKeyLLCAEKWGTXHKLS-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.46
Rot. Bonds3

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

N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 104621807) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID104621807
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCCNCc1cnc2c(C)c(C)nn2c1
InChIInChI=1S/C11H16N4/c1-4-12-5-10-6-13-11-8(2)9(3)14-15(11)7-10/h6-7,12H,4-5H2,1-3H3
InChIKeyLLCAEKWGTXHKLS-UHFFFAOYSA-N
XLogP1.46
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104621808
N-[[5-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636117
ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514786
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
N-[[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63772919
N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 104621816
N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63771201
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 3-(4-methylphenyl)sulfanylpropanoate
CID 86881288
N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 63771712
N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62288983
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 2-(4-chlorophenoxy)propanoate
CID 86890537

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 104621807) is N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is CCNCc1cnc2c(C)c(C)nn2c1.
What is the InChIKey of N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is LLCAEKWGTXHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-12-5-10-6-13-11-8(2)9(3)14-15(11)7-10/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 204.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 104621807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).