2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium

C8H14N3O+ — CID 7200828

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium
SMILESCc1cc(C)n(CC[NH3+])c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(2)11(4-3-9)8(12)10-6/h5H,3-4,9H2,1-2H3/p+1
InChIKeyIDKKEJGBRLXUHN-UHFFFAOYSA-O
MW168.22 g/mol
LogP-0.90
Rot. Bonds2

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium (PubChem CID 7200828) has the molecular formula C8H14N3O+ and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium
PubChem CID7200828
Molecular FormulaC8H14N3O+
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium
SMILESCc1cc(C)n(CC[NH3+])c(=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(2)11(4-3-9)8(12)10-6/h5H,3-4,9H2,1-2H3/p+1
InChIKeyIDKKEJGBRLXUHN-UHFFFAOYSA-O
XLogP-0.90
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide
CID 24696468
1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43752778
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097243
3,4,6-trimethyl-1H-pyrimidin-3-ium-2-one
CID 44725550
1,4-Diethyl-6-methylpyrimidin-2-one
CID 58719951
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
4,6-Dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
CID 123478764

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium (CID 7200828) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium is Cc1cc(C)n(CC[NH3+])c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium?
The InChIKey is IDKKEJGBRLXUHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3O/c1-6-5-7(2)11(4-3-9)8(12)10-6/h5H,3-4,9H2,1-2H3/p+1.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium has a molecular weight of 168.22 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylazanium is sourced from PubChem (CID 7200828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).