1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide

C14H22N4O4 — CID 84555526

IUPAC1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O4/c1-16-10-11(13(20)17(2)14(16)21)12(19)15-4-3-5-18-6-8-22-9-7-18/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyZTDKZTPZRYBTEP-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.46
Rot. Bonds5

About 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide

1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84555526) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84555526
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O4/c1-16-10-11(13(20)17(2)14(16)21)12(19)15-4-3-5-18-6-8-22-9-7-18/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyZTDKZTPZRYBTEP-UHFFFAOYSA-N
XLogP-1.46
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 667038
Ethyl 2-[5-[2-[2-[[1-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonyl]amino]ethoxy]ethylcarbamoyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 25185738
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-morpholinoethyl)acetamide
CID 45280787
N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56714943
ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate
CID 361686
5-(Morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21177786
1-{3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl}pyrimidine-2,4(1H,3H)-dione
CID 70744300
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 95219842
1-[N-(2-morpholinocarbonylethyl)carbamoyl]-5-fluorouracil
CID 20525053
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanamide
CID 117958199

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide (CID 84555526) is 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)NCCCN2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is ZTDKZTPZRYBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-16-10-11(13(20)17(2)14(16)21)12(19)15-4-3-5-18-6-8-22-9-7-18/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide?
1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).