(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone

C15H22N4O — CID 72857165

IUPAC(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CC(N3CCCCC3)C2)cn1
InChIInChI=1S/C15H22N4O/c1-2-14-16-8-12(9-17-14)15(20)19-10-13(11-19)18-6-4-3-5-7-18/h8-9,13H,2-7,10-11H2,1H3
InChIKeyIDWVKVAGGUPOTO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone

(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone (PubChem CID 72857165) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone
PubChem CID72857165
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CC(N3CCCCC3)C2)cn1
InChIInChI=1S/C15H22N4O/c1-2-14-16-8-12(9-17-14)15(20)19-10-13(11-19)18-6-4-3-5-7-18/h8-9,13H,2-7,10-11H2,1H3
InChIKeyIDWVKVAGGUPOTO-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986
1-Cyclopentyl-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-1,4-diazepane
CID 70785332
(4-Cyclohexyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
CID 72857986
6-(Cyclopropylmethyl)-9-methyl-2-piperidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741429
(2-ethylpyrimidin-5-yl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 155560726
(4-Fluoropiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 172438563
(2-Methoxypyrimidin-5-yl)(piperidin-1-yl)methanone
CID 49664407
N-allyl-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 50953378
(1R*,6S*)-3-[(2-ethylpyrimidin-5-yl)carbonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 56709201
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 72891596
(4aS*,7aS*)-6-[(2-ethyl-5-pyrimidinyl)carbonyl]octahydro-1H-pyrrolo[3,4-b]pyridine
CID 72909202

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone (CID 72857165) is (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone is CCc1ncc(C(=O)N2CC(N3CCCCC3)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone?
The InChIKey is IDWVKVAGGUPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-14-16-8-12(9-17-14)15(20)19-10-13(11-19)18-6-4-3-5-7-18/h8-9,13H,2-7,10-11H2,1H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone?
(2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-(3-piperidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 72857165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).