4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C13H20N4O4 — CID 17408948

IUPAC4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCOCCOCCCNc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H20N4O4/c1-16-11(15-5-4-6-21-8-7-20-3)10(9-14)12(18)17(2)13(16)19/h15H,4-8H2,1-3H3
InChIKeyNGVVOMWHLZTEJE-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.58
Rot. Bonds8

About 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17408948) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17408948
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCOCCOCCCNc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H20N4O4/c1-16-11(15-5-4-6-21-8-7-20-3)10(9-14)12(18)17(2)13(16)19/h15H,4-8H2,1-3H3
InChIKeyNGVVOMWHLZTEJE-UHFFFAOYSA-N
XLogP-0.58
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133331953
1,3-dimethyl-2,4-dioxo-6-[2-[(2S)-oxolan-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 31656583
5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757669
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32882238
4-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133415061
methyl 2-[2-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl-[3-(4-nitrophenyl)propyl]amino]acetate
CID 67838880
1,3-dimethyl-2,4-dioxo-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyrimidine-5-carbonitrile
CID 56820780
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786
1,3-dimethyl-2,4-dioxo-6-[[2-(phenoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 17462205
6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
CID 18798239
4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 94811369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 17408948) is 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is COCCOCCCNc1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is NGVVOMWHLZTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-11(15-5-4-6-21-8-7-20-3)10(9-14)12(18)17(2)13(16)19/h15H,4-8H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17408948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).