[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H25N5O — CID 53165585

IUPAC[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1ncncc1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H25N5O/c1-19(2)15-14(11-17-12-18-15)20-9-5-13(6-10-20)16(22)21-7-3-4-8-21/h11-13H,3-10H2,1-2H3
InChIKeyFGUIBCYNVBJIJM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.38
Rot. Bonds3

About [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53165585) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53165585
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)c1ncncc1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H25N5O/c1-19(2)15-14(11-17-12-18-15)20-9-5-13(6-10-20)16(22)21-7-3-4-8-21/h11-13H,3-10H2,1-2H3
InChIKeyFGUIBCYNVBJIJM-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bmy 21502
CID 129930
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
8-Methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232646
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
CID 58405561
6,8-Dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232710
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
2-Ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370141
2-(Cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370274

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53165585) is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CN(C)c1ncncc1N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FGUIBCYNVBJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19(2)15-14(11-17-12-18-15)20-9-5-13(6-10-20)16(22)21-7-3-4-8-21/h11-13H,3-10H2,1-2H3.
What are the key properties of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53165585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).