[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C21H28N6O — CID 92633027

IUPAC[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(C)c1ncc(CN2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1
InChIInChI=1S/C21H28N6O/c1-24(2)21-22-12-17(13-23-21)14-25-15-18(16-25)20(28)27-10-8-26(9-11-27)19-6-4-3-5-7-19/h3-7,12-13,18H,8-11,14-16H2,1-2H3
InChIKeyZGAHNDLIOZNTPQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.32
Rot. Bonds5

About [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 92633027) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID92633027
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(C)c1ncc(CN2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1
InChIInChI=1S/C21H28N6O/c1-24(2)21-22-12-17(13-23-21)14-25-15-18(16-25)20(28)27-10-8-26(9-11-27)19-6-4-3-5-7-19/h3-7,12-13,18H,8-11,14-16H2,1-2H3
InChIKeyZGAHNDLIOZNTPQ-UHFFFAOYSA-N
XLogP1.32
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
(3R,4S)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133134373
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
CID 56873752
(3R,5R)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
CID 133114143
2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
CID 110246330
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 92633027) is [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CN(C)c1ncc(CN2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1.
What is the InChIKey of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZGAHNDLIOZNTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-24(2)21-22-12-17(13-23-21)14-25-15-18(16-25)20(28)27-10-8-26(9-11-27)19-6-4-3-5-7-19/h3-7,12-13,18H,8-11,14-16H2,1-2H3.
What are the key properties of [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 92633027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).