ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate

C23H22N4O3 — CID 155580189

IUPACethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3ccccc3OC)ncc(-c3ccccc3)c12
InChIInChI=1S/C23H22N4O3/c1-3-30-22(28)20-21-18(16-9-5-4-6-10-16)14-25-23(27(21)15-26-20)24-13-17-11-7-8-12-19(17)29-2/h4-12,14-15H,3,13H2,1-2H3,(H,24,25)
InChIKeyMYFASGJBSVCXHC-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.19
Rot. Bonds7

About ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate

ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate (PubChem CID 155580189) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
PubChem CID155580189
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Nameethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
SMILESCCOC(=O)c1ncn2c(NCc3ccccc3OC)ncc(-c3ccccc3)c12
InChIInChI=1S/C23H22N4O3/c1-3-30-22(28)20-21-18(16-9-5-4-6-10-16)14-25-23(27(21)15-26-20)24-13-17-11-7-8-12-19(17)29-2/h4-12,14-15H,3,13H2,1-2H3,(H,24,25)
InChIKeyMYFASGJBSVCXHC-UHFFFAOYSA-N
XLogP4.19
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate (CID 155580189) is ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate is CCOC(=O)c1ncn2c(NCc3ccccc3OC)ncc(-c3ccccc3)c12.
What is the InChIKey of ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
The InChIKey is MYFASGJBSVCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-30-22(28)20-21-18(16-9-5-4-6-10-16)14-25-23(27(21)15-26-20)24-13-17-11-7-8-12-19(17)29-2/h4-12,14-15H,3,13H2,1-2H3,(H,24,25).
What are the key properties of ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate?
ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methoxyphenyl)methylamino]-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate is sourced from PubChem (CID 155580189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).