[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone

C17H27N5O2 — CID 110246430

IUPAC[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncc(CN2CCOC(C(=O)N3CCCCC3)C2)cn1
InChIInChI=1S/C17H27N5O2/c1-20(2)17-18-10-14(11-19-17)12-21-8-9-24-15(13-21)16(23)22-6-4-3-5-7-22/h10-11,15H,3-9,12-13H2,1-2H3
InChIKeyOKROXVCSAYQWJA-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.76
Rot. Bonds4

About [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone

[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110246430) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
PubChem CID110246430
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncc(CN2CCOC(C(=O)N3CCCCC3)C2)cn1
InChIInChI=1S/C17H27N5O2/c1-20(2)17-18-10-14(11-19-17)12-21-8-9-24-15(13-21)16(23)22-6-4-3-5-7-22/h10-11,15H,3-9,12-13H2,1-2H3
InChIKeyOKROXVCSAYQWJA-UHFFFAOYSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146079568
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146078314
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633027
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844457
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone (CID 110246430) is [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone is CN(C)c1ncc(CN2CCOC(C(=O)N3CCCCC3)C2)cn1.
What is the InChIKey of [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is OKROXVCSAYQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)17-18-10-14(11-19-17)12-21-8-9-24-15(13-21)16(23)22-6-4-3-5-7-22/h10-11,15H,3-9,12-13H2,1-2H3.
What are the key properties of [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone?
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 333.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110246430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).