1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile

C12H14N4O4 — CID 115586929

IUPAC1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCC(=O)N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O4/c13-7-9-8-16(12(19)14-11(9)18)2-1-10(17)15-3-5-20-6-4-15/h8H,1-6H2,(H,14,18,19)
InChIKeyNUNHXLLBRWEXFF-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.34
Rot. Bonds3

About 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile

1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 115586929) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID115586929
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCC(=O)N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O4/c13-7-9-8-16(12(19)14-11(9)18)2-1-10(17)15-3-5-20-6-4-15/h8H,1-6H2,(H,14,18,19)
InChIKeyNUNHXLLBRWEXFF-UHFFFAOYSA-N
XLogP-1.34
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-(Morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21177786
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
1-[N-(2-morpholinocarbonylethyl)carbamoyl]-5-fluorouracil
CID 20525053
6-Methyl-1-[3-(4-morpholinyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 145921997
1,3-Dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
CID 84556889
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
1-Morpholino-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763618
1-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2765654
5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 6937599
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 17511601
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 18140224

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile (CID 115586929) is 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(CCC(=O)N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is NUNHXLLBRWEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c13-7-9-8-16(12(19)14-11(9)18)2-1-10(17)15-3-5-20-6-4-15/h8H,1-6H2,(H,14,18,19).
What are the key properties of 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 115586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).