3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide

C13H20N4O3 — CID 123239471

IUPAC3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide
SMILESC=c1c(=C(CC(N)=O)N(C)CCC)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C13H20N4O3/c1-5-6-16(3)9(7-10(14)18)11-8(2)17(4)13(20)15-12(11)19/h2,5-7H2,1,3-4H3,(H2,14,18)(H,15,19,20)
InChIKeySIDXLEYBIUBWAB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-2.19
Rot. Bonds5

About 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide

3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide (PubChem CID 123239471) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide.

Molecular Properties

Compound Name3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide
PubChem CID123239471
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide
SMILESC=c1c(=C(CC(N)=O)N(C)CCC)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C13H20N4O3/c1-5-6-16(3)9(7-10(14)18)11-8(2)17(4)13(20)15-12(11)19/h2,5-7H2,1,3-4H3,(H2,14,18)(H,15,19,20)
InChIKeySIDXLEYBIUBWAB-UHFFFAOYSA-N
XLogP-2.19
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-oxopiperazine-1-carboxamide
CID 53508875
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 2149974
2,4-diamino-1-[1-(dimethylamino)propyl]-6-oxo-N-propylpyridine-3-carboxamide;N-methylmethanamine
CID 20223188
2,4-diamino-N,1-bis[3-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
CID 53847305
3,6-diethyl-5-methyl-1H-pyrimidine-2,4-dione
CID 58730540
6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59755520
2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
CID 70431193
2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide
CID 71019134
2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019141
6-Ethylidene-3-methyl-1-(2-methylpropyl)-5-propan-2-ylidene-1,3-diazinane-2,4-dione
CID 91565196

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide?
The IUPAC name of 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide (CID 123239471) is 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide.
What is the SMILES notation for 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide?
The canonical SMILES for 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide is C=c1c(=C(CC(N)=O)N(C)CCC)c(=O)[nH]c(=O)n1C.
What is the InChIKey of 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide?
The InChIKey is SIDXLEYBIUBWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-5-6-16(3)9(7-10(14)18)11-8(2)17(4)13(20)15-12(11)19/h2,5-7H2,1,3-4H3,(H2,14,18)(H,15,19,20).
What are the key properties of 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide?
3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide has a molecular weight of 280.33 g/mol, XLogP of -2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-methylidene-2,4-dioxo-1,3-diazinan-5-ylidene)-3-[methyl(propyl)amino]propanamide is sourced from PubChem (CID 123239471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).