2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium

C10H18N3O2+ — CID 6919501

IUPAC2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium
SMILESCc1cc(=O)n(C)c(=O)n1CC[NH+](C)C
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3/p+1
InChIKeyPMSRPBCMNWKFFT-UHFFFAOYSA-O
MW212.27 g/mol
LogP-2.00
Rot. Bonds3

About 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium

2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium (PubChem CID 6919501) has the molecular formula C10H18N3O2+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium
PubChem CID6919501
Molecular FormulaC10H18N3O2+
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium
SMILESCc1cc(=O)n(C)c(=O)n1CC[NH+](C)C
InChIInChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3/p+1
InChIKeyPMSRPBCMNWKFFT-UHFFFAOYSA-O
XLogP-2.00
TPSA48.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-tert-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137635223
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
6-Amino-1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2118143
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
1,6-Dimethyl-3-ethyluracil
CID 21627127
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium?
The IUPAC name of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium (CID 6919501) is 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium.
What is the SMILES notation for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium?
The canonical SMILES for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium is Cc1cc(=O)n(C)c(=O)n1CC[NH+](C)C.
What is the InChIKey of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium?
The InChIKey is PMSRPBCMNWKFFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-9(14)12(4)10(15)13(8)6-5-11(2)3/h7H,5-6H2,1-4H3/p+1.
What are the key properties of 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium?
2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium has a molecular weight of 212.27 g/mol, XLogP of -2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethylazanium is sourced from PubChem (CID 6919501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).