4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide

C20H26N4O2 — CID 124945377

IUPAC4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-24(2)14-15-6-8-17(9-7-15)20(25)23-13-16-11-21-19(22-12-16)18-5-3-4-10-26-18/h6-9,11-12,18H,3-5,10,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyBQMZVELDFYSRBY-SFHVURJKSA-N
MW354.45 g/mol
LogP2.71
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide

4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide (PubChem CID 124945377) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
PubChem CID124945377
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-24(2)14-15-6-8-17(9-7-15)20(25)23-13-16-11-21-19(22-12-16)18-5-3-4-10-26-18/h6-9,11-12,18H,3-5,10,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyBQMZVELDFYSRBY-SFHVURJKSA-N
XLogP2.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 125024972
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide (CID 124945377) is 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide is CN(C)Cc1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The InChIKey is BQMZVELDFYSRBY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(2)14-15-6-8-17(9-7-15)20(25)23-13-16-11-21-19(22-12-16)18-5-3-4-10-26-18/h6-9,11-12,18H,3-5,10,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 124945377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).