methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium

C8H14N3O+ — CID 143456508

IUPACmethyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
SMILESC[NH2+]CCn1cncc(C)c1=O
InChIInChI=1S/C8H13N3O/c1-7-5-10-6-11(8(7)12)4-3-9-2/h5-6,9H,3-4H2,1-2H3/p+1
InChIKeyNPTMAFJSCFFXSY-UHFFFAOYSA-O
MW168.22 g/mol
LogP-1.26
Rot. Bonds3

About methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium

methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium (PubChem CID 143456508) has the molecular formula C8H14N3O+ and a molecular weight of 168.22 g/mol. Its IUPAC name is methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
PubChem CID143456508
Molecular FormulaC8H14N3O+
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Namemethyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
SMILESC[NH2+]CCn1cncc(C)c1=O
InChIInChI=1S/C8H13N3O/c1-7-5-10-6-11(8(7)12)4-3-9-2/h5-6,9H,3-4H2,1-2H3/p+1
InChIKeyNPTMAFJSCFFXSY-UHFFFAOYSA-O
XLogP-1.26
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 5-methyl-
CID 205324
Imidazo(1,2-a)pyrimidine, 6-methyl-7-oxo-1,2,3,7-tetrahydro-
CID 591645
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
3-[2-(Dimethylamino)ethyl]-5-methylpyrimidin-4-one
CID 57583977
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123
3-Ethyl-5-methylpyrimidin-4-one
CID 89410488
(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
CID 118490164
5-methyl-6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 121320991
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
3-(1-Aminoethyl)-5-methylpyrimidin-4-one
CID 138743965
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide
CID 141303686

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium?
The IUPAC name of methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium (CID 143456508) is methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium.
What is the SMILES notation for methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium?
The canonical SMILES for methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium is C[NH2+]CCn1cncc(C)c1=O.
What is the InChIKey of methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium?
The InChIKey is NPTMAFJSCFFXSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3O/c1-7-5-10-6-11(8(7)12)4-3-9-2/h5-6,9H,3-4H2,1-2H3/p+1.
What are the key properties of methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium?
methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium has a molecular weight of 168.22 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium is sourced from PubChem (CID 143456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).