2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C21H30N4O3 — CID 110248296

IUPAC2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ncc(C(=O)N2CCOCC2)c(C2CCCN2C(=O)CC2CCCC2)n1
InChIInChI=1S/C21H30N4O3/c1-15-22-14-17(21(27)24-9-11-28-12-10-24)20(23-15)18-7-4-8-25(18)19(26)13-16-5-2-3-6-16/h14,16,18H,2-13H2,1H3
InChIKeyCBNFTOQBIYQEKE-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.50
Rot. Bonds4

About 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110248296) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110248296
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ncc(C(=O)N2CCOCC2)c(C2CCCN2C(=O)CC2CCCC2)n1
InChIInChI=1S/C21H30N4O3/c1-15-22-14-17(21(27)24-9-11-28-12-10-24)20(23-15)18-7-4-8-25(18)19(26)13-16-5-2-3-6-16/h14,16,18H,2-13H2,1H3
InChIKeyCBNFTOQBIYQEKE-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92640609
N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 92640454
(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 92640567
2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248302
2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92640436
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
CID 110085100
3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110248286
2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124982918
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110248296) is 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is Cc1ncc(C(=O)N2CCOCC2)c(C2CCCN2C(=O)CC2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is CBNFTOQBIYQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15-22-14-17(21(27)24-9-11-28-12-10-24)20(23-15)18-7-4-8-25(18)19(26)13-16-5-2-3-6-16/h14,16,18H,2-13H2,1H3.
What are the key properties of 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110248296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).