5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C14H18N6 — CID 70772919

IUPAC5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ncc[nH]2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H18N6/c1-4-11-7-13(17-8-12-15-5-6-16-12)20-14(18-11)9(2)10(3)19-20/h5-7,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyQYTLRVDCEOBDGT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.24
Rot. Bonds4

About 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70772919) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70772919
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2ncc[nH]2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H18N6/c1-4-11-7-13(17-8-12-15-5-6-16-12)20-14(18-11)9(2)10(3)19-20/h5-7,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyQYTLRVDCEOBDGT-UHFFFAOYSA-N
XLogP2.24
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70772919) is 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2ncc[nH]2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QYTLRVDCEOBDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-11-7-13(17-8-12-15-5-6-16-12)20-14(18-11)9(2)10(3)19-20/h5-7,17H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 270.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70772919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).