2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C27H32N4O2 — CID 92620162

IUPAC2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1c(C)cccc1CN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C27H32N4O2/c1-19-9-8-12-22(26(19)33-4)17-30(3)18-24-28-20(2)23-13-14-25(32)31(27(23)29-24)16-15-21-10-6-5-7-11-21/h5-12H,13-18H2,1-4H3
InChIKeyAUBQMTUNULAGAC-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.26
Rot. Bonds8

About 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92620162) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92620162
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1c(C)cccc1CN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C27H32N4O2/c1-19-9-8-12-22(26(19)33-4)17-30(3)18-24-28-20(2)23-13-14-25(32)31(27(23)29-24)16-15-21-10-6-5-7-11-21/h5-12H,13-18H2,1-4H3
InChIKeyAUBQMTUNULAGAC-UHFFFAOYSA-N
XLogP4.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92620162) is 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1c(C)cccc1CN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2.
What is the InChIKey of 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AUBQMTUNULAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-9-8-12-22(26(19)33-4)17-30(3)18-24-28-20(2)23-13-14-25(32)31(27(23)29-24)16-15-21-10-6-5-7-11-21/h5-12H,13-18H2,1-4H3.
What are the key properties of 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 444.58 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92620162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).