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

C21H30N6 — CID 11485413

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1
InChIInChI=1S/C21H30N6/c1-12(2)15(5)24-19-10-14(4)23-21-20(16(6)25-27(19)21)17-11-22-18(26(7)8)9-13(17)3/h9-12,15,24H,1-8H3
InChIKeyFZJJTUZXWPHQFO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.24
Rot. Bonds5

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

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11485413) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11485413
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1
InChIInChI=1S/C21H30N6/c1-12(2)15(5)24-19-10-14(4)23-21-20(16(6)25-27(19)21)17-11-22-18(26(7)8)9-13(17)3/h9-12,15,24H,1-8H3
InChIKeyFZJJTUZXWPHQFO-UHFFFAOYSA-N
XLogP4.24
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Adipiplon
CID 11198924
Sch-900776
CID 46239015
Amdizalisib
CID 118981804
PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
Unc569
CID 53355503
(R)-Zinc-3573
CID 95882507
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11485413) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FZJJTUZXWPHQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-12(2)15(5)24-19-10-14(4)23-21-20(16(6)25-27(19)21)17-11-22-18(26(7)8)9-13(17)3/h9-12,15,24H,1-8H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11485413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).