3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C21H30N6O2 — CID 71717166

IUPAC3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCO[11CH3])c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12
InChIInChI=1S/C21H30N6O2/c1-15-13-19(26(9-11-28-5)10-12-29-6)27-21(23-15)20(16(2)24-27)17-7-8-18(22-14-17)25(3)4/h7-8,13-14H,9-12H2,1-6H3/i5-1
InChIKeyPBOIKIWQJQBJHI-SFIIULIVSA-N
MW397.51 g/mol
LogP2.57
Rot. Bonds9

About 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71717166) has the molecular formula C21H30N6O2 and a molecular weight of 397.51 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71717166
Molecular FormulaC21H30N6O2
Molecular Weight397.51 g/mol
Exact Mass397.25
IUPAC Name3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCO[11CH3])c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12
InChIInChI=1S/C21H30N6O2/c1-15-13-19(26(9-11-28-5)10-12-29-6)27-21(23-15)20(16(2)24-27)17-7-8-18(22-14-17)25(3)4/h7-8,13-14H,9-12H2,1-6H3/i5-1
InChIKeyPBOIKIWQJQBJHI-SFIIULIVSA-N
XLogP2.57
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71717166) is 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COCCN(CCO[11CH3])c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PBOIKIWQJQBJHI-SFIIULIVSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-13-19(26(9-11-28-5)10-12-29-6)27-21(23-15)20(16(2)24-27)17-7-8-18(22-14-17)25(3)4/h7-8,13-14H,9-12H2,1-6H3/i5-1.
What are the key properties of 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 397.51 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-(2-(111C)methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71717166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).