3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C20H20N6O3 — CID 126475715

IUPAC3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4cncnc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C20H20N6O3/c1-27-16-6-13(7-17(28-2)18(16)29-3)8-24-19-20-25-11-15(26(20)5-4-23-19)14-9-21-12-22-10-14/h4-7,9-12H,8H2,1-3H3,(H,23,24)
InChIKeyCWFHIUWGTQQMPQ-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.82
Rot. Bonds7

About 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126475715) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126475715
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4cncnc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C20H20N6O3/c1-27-16-6-13(7-17(28-2)18(16)29-3)8-24-19-20-25-11-15(26(20)5-4-23-19)14-9-21-12-22-10-14/h4-7,9-12H,8H2,1-3H3,(H,23,24)
InChIKeyCWFHIUWGTQQMPQ-UHFFFAOYSA-N
XLogP2.82
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126475715) is 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2nccn3c(-c4cncnc4)cnc23)cc(OC)c1OC.
What is the InChIKey of 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CWFHIUWGTQQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-27-16-6-13(7-17(28-2)18(16)29-3)8-24-19-20-25-11-15(26(20)5-4-23-19)14-9-21-12-22-10-14/h4-7,9-12H,8H2,1-3H3,(H,23,24).
What are the key properties of 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 392.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126475715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).