5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one

C21H22N4O2 — CID 139421623

IUPAC5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-14-11-16(27-3)9-10-17(14)22-21-23-19(26)12-20-24(2)13-18(25(20)21)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,23,26)
InChIKeyJAAMCAUPBNSCFT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.34
Rot. Bonds4

About 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one

5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one (PubChem CID 139421623) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
PubChem CID139421623
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-14-11-16(27-3)9-10-17(14)22-21-23-19(26)12-20-24(2)13-18(25(20)21)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,23,26)
InChIKeyJAAMCAUPBNSCFT-UHFFFAOYSA-N
XLogP3.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The IUPAC name of 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one (CID 139421623) is 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one.
What is the SMILES notation for 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The canonical SMILES for 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one is COc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CN3C)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
The InChIKey is JAAMCAUPBNSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-11-16(27-3)9-10-17(14)22-21-23-19(26)12-20-24(2)13-18(25(20)21)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,23,26).
What are the key properties of 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one?
5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one has a molecular weight of 362.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylanilino)-1-methyl-3-phenyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-one is sourced from PubChem (CID 139421623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).