1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one

C23H27N3O — CID 70038678

IUPAC1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one
SMILESCN(C)CC1CCc2cc(N3C=CCN(c4ccccc4)C3=O)ccc2C1
InChIInChI=1S/C23H27N3O/c1-24(2)17-18-9-10-20-16-22(12-11-19(20)15-18)26-14-6-13-25(23(26)27)21-7-4-3-5-8-21/h3-8,11-12,14,16,18H,9-10,13,15,17H2,1-2H3
InChIKeyOEWMCJHZYGUTKN-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.31
Rot. Bonds4

About 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one

1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one (PubChem CID 70038678) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one
PubChem CID70038678
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one
SMILESCN(C)CC1CCc2cc(N3C=CCN(c4ccccc4)C3=O)ccc2C1
InChIInChI=1S/C23H27N3O/c1-24(2)17-18-9-10-20-16-22(12-11-19(20)15-18)26-14-6-13-25(23(26)27)21-7-4-3-5-8-21/h3-8,11-12,14,16,18H,9-10,13,15,17H2,1-2H3
InChIKeyOEWMCJHZYGUTKN-UHFFFAOYSA-N
XLogP4.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one?
The IUPAC name of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one (CID 70038678) is 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one.
What is the SMILES notation for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one?
The canonical SMILES for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one is CN(C)CC1CCc2cc(N3C=CCN(c4ccccc4)C3=O)ccc2C1.
What is the InChIKey of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one?
The InChIKey is OEWMCJHZYGUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-24(2)17-18-9-10-20-16-22(12-11-19(20)15-18)26-14-6-13-25(23(26)27)21-7-4-3-5-8-21/h3-8,11-12,14,16,18H,9-10,13,15,17H2,1-2H3.
What are the key properties of 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one?
1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenyl-4H-pyrimidin-2-one is sourced from PubChem (CID 70038678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).