1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile

C9H10N4O3 — CID 2763618

IUPAC1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N4O3/c10-5-7-6-13(9(15)11-8(7)14)12-1-3-16-4-2-12/h6H,1-4H2,(H,11,14,15)
InChIKeyXUVYQWSFYVZMQO-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.62
Rot. Bonds1

About 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile

1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 2763618) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID2763618
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N4O3/c10-5-7-6-13(9(15)11-8(7)14)12-1-3-16-4-2-12/h6H,1-4H2,(H,11,14,15)
InChIKeyXUVYQWSFYVZMQO-UHFFFAOYSA-N
XLogP-1.62
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dioxo-1-piperidino-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763482
1-[Bis(2-hydroxyethyl)amino]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 245285
5-methyl-3-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 53671151
5-Methyl-1-morpholin-4-ylpyrimidine-2,4-dione
CID 66960308
1,3-Dimethyl-4-(morpholin-4-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
CID 17511924
6-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 21780323
1-[(4-Methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79876646
1-(4-Methylpiperazin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 83024058
1-(3-Morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 112731690
1-(2-Morpholinoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 113225190
1-[(4-Ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 114401429
1-(3-Morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 115586929

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile (CID 2763618) is 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is XUVYQWSFYVZMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-5-7-6-13(9(15)11-8(7)14)12-1-3-16-4-2-12/h6H,1-4H2,(H,11,14,15).
What are the key properties of 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile?
1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 222.20 g/mol, XLogP of -1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 2763618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).