2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine

C24H27N7O — CID 71278233

IUPAC2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine
SMILESCc1nc2ccccc2nc1-c1cn2c(NC3CCOCC3)cc(N3CCCC3)nc2n1
InChIInChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)20-15-31-22(26-17-8-12-32-13-9-17)14-21(29-24(31)28-20)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3
InChIKeyKCOAEDGZEBKXJI-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine

2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine (PubChem CID 71278233) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine
PubChem CID71278233
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine
SMILESCc1nc2ccccc2nc1-c1cn2c(NC3CCOCC3)cc(N3CCCC3)nc2n1
InChIInChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)20-15-31-22(26-17-8-12-32-13-9-17)14-21(29-24(31)28-20)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3
InChIKeyKCOAEDGZEBKXJI-UHFFFAOYSA-N
XLogP3.84
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine (CID 71278233) is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine is Cc1nc2ccccc2nc1-c1cn2c(NC3CCOCC3)cc(N3CCCC3)nc2n1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is KCOAEDGZEBKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)20-15-31-22(26-17-8-12-32-13-9-17)14-21(29-24(31)28-20)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine?
2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 429.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 71278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).