morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone

C13H18N4O2 — CID 20863908

IUPACmorpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCC2)nc1)N1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-12(16-5-7-19-8-6-16)11-9-14-13(15-10-11)17-3-1-2-4-17/h9-10H,1-8H2
InChIKeyYIHFHCQDAVPYDN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds2

About morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone

morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone (PubChem CID 20863908) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
PubChem CID20863908
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemorpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCC2)nc1)N1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-12(16-5-7-19-8-6-16)11-9-14-13(15-10-11)17-3-1-2-4-17/h9-10H,1-8H2
InChIKeyYIHFHCQDAVPYDN-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 56875888
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
(1R,5S)-6-methyl-3-(2-morpholin-4-ylpyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118264
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 133110620
[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959362
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56741230
(4-isoquinolin-2-ium-2-ylpiperidin-1-yl)-[2-(1,5-oxazocan-5-yl)pyrimidin-5-yl]methanone
CID 154679411
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone (CID 20863908) is morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCCC2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The InChIKey is YIHFHCQDAVPYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(16-5-7-19-8-6-16)11-9-14-13(15-10-11)17-3-1-2-4-17/h9-10H,1-8H2.
What are the key properties of morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 20863908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).