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

C23H34N6 — CID 11280879

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CCC(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1
InChIInChI=1S/C23H34N6/c1-14(2)9-10-16(4)25-21-12-17(5)26-23-22(18(6)27-29(21)23)19-13-24-20(28(7)8)11-15(19)3/h11-14,16,25H,9-10H2,1-8H3
InChIKeyDHQSNGINXKFVRT-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.02
Rot. Bonds7

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

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11280879) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11280879
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CCC(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1
InChIInChI=1S/C23H34N6/c1-14(2)9-10-16(4)25-21-12-17(5)26-23-22(18(6)27-29(21)23)19-13-24-20(28(7)8)11-15(19)3/h11-14,16,25H,9-10H2,1-8H3
InChIKeyDHQSNGINXKFVRT-UHFFFAOYSA-N
XLogP5.02
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 55.02
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-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11280879) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-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-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)CCC(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-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DHQSNGINXKFVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6/c1-14(2)9-10-16(4)25-21-12-17(5)26-23-22(18(6)27-29(21)23)19-13-24-20(28(7)8)11-15(19)3/h11-14,16,25H,9-10H2,1-8H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 394.57 g/mol, XLogP of 5.02, 7 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-(5-methylhexan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11280879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).