2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide

C23H27N7O3 — CID 11669560

IUPAC2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncn4)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C23H27N7O3/c1-28(2)14-21(31)26-17-6-4-16(5-7-17)20-13-30(10-11-33-20)23-27-19(12-22(32)29(23)3)18-8-9-24-15-25-18/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyPVCFPMRCKNCHJJ-HXUWFJFHSA-N
MW449.52 g/mol
LogP1.32
Rot. Bonds6

About 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide

2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide (PubChem CID 11669560) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide
PubChem CID11669560
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncn4)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C23H27N7O3/c1-28(2)14-21(31)26-17-6-4-16(5-7-17)20-13-30(10-11-33-20)23-27-19(12-22(32)29(23)3)18-8-9-24-15-25-18/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyPVCFPMRCKNCHJJ-HXUWFJFHSA-N
XLogP1.32
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]benzonitrile
CID 10177405
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500
3-methyl-2-[7-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1,4-oxazepan-4-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 67281326
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
2-[7-(2-methoxyphenyl)-1,4-oxazepan-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 67281261
2-[(2S)-2-[4-(cyclopentylamino)phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 11640943
N-[4-imino-4-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]butan-2-yl]-N-methylacetamide
CID 174526253
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712
2-[(3S)-3-(4-fluoroanilino)pyrrolidin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004255
2-[(6S)-6-(4-isocyanophenyl)-1,4-oxazepan-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 87412078
N-[4-[4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 76722808
2-[2-[4-[ethyl-[(2-hydroxyethylamino)methyl]amino]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 143207821

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide (CID 11669560) is 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide is CN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncn4)cc(=O)n3C)CCO2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide?
The InChIKey is PVCFPMRCKNCHJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-28(2)14-21(31)26-17-6-4-16(5-7-17)20-13-30(10-11-33-20)23-27-19(12-22(32)29(23)3)18-8-9-24-15-25-18/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,31)/t20-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide?
2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide has a molecular weight of 449.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[(2S)-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11669560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).