3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C21H30N6O — CID 11211248

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(COC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H30N6O/c1-8-16(12-28-7)24-19-10-14(3)23-21-20(15(4)25-27(19)21)17-11-22-18(26(5)6)9-13(17)2/h9-11,16,24H,8,12H2,1-7H3
InChIKeyVBTQWXMQOWUBAX-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.62
Rot. Bonds7

About 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11211248) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11211248
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(COC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H30N6O/c1-8-16(12-28-7)24-19-10-14(3)23-21-20(15(4)25-27(19)21)17-11-22-18(26(5)6)9-13(17)2/h9-11,16,24H,8,12H2,1-7H3
InChIKeyVBTQWXMQOWUBAX-UHFFFAOYSA-N
XLogP3.62
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11211248) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(COC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VBTQWXMQOWUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-8-16(12-28-7)24-19-10-14(3)23-21-20(15(4)25-27(19)21)17-11-22-18(26(5)6)9-13(17)2/h9-11,16,24H,8,12H2,1-7H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 382.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11211248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).