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

C21H30N6 — CID 11326060

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H30N6/c1-8-16(9-2)24-19-11-14(4)23-21-20(15(5)25-27(19)21)17-12-22-18(26(6)7)10-13(17)3/h10-12,16,24H,8-9H2,1-7H3
InChIKeyQXLPFHJBVAVMOL-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.38
Rot. Bonds6

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

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11326060) 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-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11326060
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H30N6/c1-8-16(9-2)24-19-11-14(4)23-21-20(15(5)25-27(19)21)17-12-22-18(26(6)7)10-13(17)3/h10-12,16,24H,8-9H2,1-7H3
InChIKeyQXLPFHJBVAVMOL-UHFFFAOYSA-N
XLogP4.38
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11326060) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(CC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QXLPFHJBVAVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-8-16(9-2)24-19-11-14(4)23-21-20(15(5)25-27(19)21)17-12-22-18(26(6)7)10-13(17)3/h10-12,16,24H,8-9H2,1-7H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.51 g/mol, XLogP of 4.38, 6 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-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11326060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).