N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide

C16H22N6O2 — CID 134076021

IUPACN,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide
SMILESCN(C)C(=O)COCC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H22N6O2/c1-20(2)15(23)12-24-11-13-8-21-7-6-17-14(21)10-22(9-13)16-18-4-3-5-19-16/h3-7,13H,8-12H2,1-2H3
InChIKeyYPTNRYYGQXMKMB-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.41
Rot. Bonds5

About N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide

N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide (PubChem CID 134076021) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide
PubChem CID134076021
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide
SMILESCN(C)C(=O)COCC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H22N6O2/c1-20(2)15(23)12-24-11-13-8-21-7-6-17-14(21)10-22(9-13)16-18-4-3-5-19-16/h3-7,13H,8-12H2,1-2H3
InChIKeyYPTNRYYGQXMKMB-UHFFFAOYSA-N
XLogP0.41
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(5aS,8aS)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-pyrimidin-2-ylmethanone
CID 97423108
4-[[(6R)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 97462942
4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 97462943
4-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 131649655
2-[(8-Pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155853218
2-Methoxy-1-[3-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467284
2-Ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 131649346
3-(2-Propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 71984354
2-methoxy-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)acetamide
CID 90588818
2-ethoxy-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)acetamide
CID 90588824
(6S)-8-pyrimidin-2-yl-6-(2-pyrrolidin-1-ylethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97389197
(6R)-8-pyrimidin-2-yl-6-(2-pyrrolidin-1-ylethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97389198

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide (CID 134076021) is N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide is CN(C)C(=O)COCC1CN(c2ncccn2)Cc2nccn2C1.
What is the InChIKey of N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide?
The InChIKey is YPTNRYYGQXMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(2)15(23)12-24-11-13-8-21-7-6-17-14(21)10-22(9-13)16-18-4-3-5-19-16/h3-7,13H,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide?
N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide is sourced from PubChem (CID 134076021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).