(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone

C22H22N2O2 — CID 102242060

IUPAC(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccccc3)n3c2N(C)CCC3)cc1
InChIInChI=1S/C22H22N2O2/c1-23-13-6-14-24-20(16-7-4-3-5-8-16)15-19(22(23)24)21(25)17-9-11-18(26-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3
InChIKeyLSPOBIQVMWFRQO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.23
Rot. Bonds4

About (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone

(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone (PubChem CID 102242060) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone
PubChem CID102242060
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccccc3)n3c2N(C)CCC3)cc1
InChIInChI=1S/C22H22N2O2/c1-23-13-6-14-24-20(16-7-4-3-5-8-16)15-19(22(23)24)21(25)17-9-11-18(26-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3
InChIKeyLSPOBIQVMWFRQO-UHFFFAOYSA-N
XLogP4.23
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone (CID 102242060) is (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone is COc1ccc(C(=O)c2cc(-c3ccccc3)n3c2N(C)CCC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone?
The InChIKey is LSPOBIQVMWFRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-23-13-6-14-24-20(16-7-4-3-5-8-16)15-19(22(23)24)21(25)17-9-11-18(26-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone?
(4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-methyl-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanone is sourced from PubChem (CID 102242060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).