morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone

C13H13N3O3 — CID 72854950

IUPACmorpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone
SMILESO=C(c1ccc(-c2cncnc2)o1)N1CCOCC1
InChIInChI=1S/C13H13N3O3/c17-13(16-3-5-18-6-4-16)12-2-1-11(19-12)10-7-14-9-15-8-10/h1-2,7-9H,3-6H2
InChIKeyKCMLKYKGFQZJTK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.21
Rot. Bonds2

About morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone

morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone (PubChem CID 72854950) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone
PubChem CID72854950
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namemorpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone
SMILESO=C(c1ccc(-c2cncnc2)o1)N1CCOCC1
InChIInChI=1S/C13H13N3O3/c17-13(16-3-5-18-6-4-16)12-2-1-11(19-12)10-7-14-9-15-8-10/h1-2,7-9H,3-6H2
InChIKeyKCMLKYKGFQZJTK-UHFFFAOYSA-N
XLogP1.21
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
Furan-2-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330390
3,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
CID 16067639
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 4873967
4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3234078
1-Benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
Furan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4452348
5-(5-Pyrimidinyl)-2-furancarboxaldehyde
CID 23004866
furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234480
6-(furan-2-ylmethyl)-2-(morpholin-4-yl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 17198698
5-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 117849644
(3-Methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247195

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone (CID 72854950) is morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone is O=C(c1ccc(-c2cncnc2)o1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone?
The InChIKey is KCMLKYKGFQZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-13(16-3-5-18-6-4-16)12-2-1-11(19-12)10-7-14-9-15-8-10/h1-2,7-9H,3-6H2.
What are the key properties of morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone?
morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone has a molecular weight of 259.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-pyrimidin-5-ylfuran-2-yl)methanone is sourced from PubChem (CID 72854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).