2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one

C11H15N4O+ — CID 123182116

IUPAC2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one
SMILESCCn1c(=O)ccc2c(C)[n+](C)c(N)nc21
InChIInChI=1S/C11H14N4O/c1-4-15-9(16)6-5-8-7(2)14(3)11(12)13-10(8)15/h5-6,12H,4H2,1-3H3/p+1
InChIKeyQDOUMELHMRIOEK-UHFFFAOYSA-O
MW219.27 g/mol
LogP0.13
Rot. Bonds1

About 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one

2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one (PubChem CID 123182116) has the molecular formula C11H15N4O+ and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one.

Molecular Properties

Compound Name2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one
PubChem CID123182116
Molecular FormulaC11H15N4O+
Molecular Weight219.27 g/mol
Exact Mass219.12
IUPAC Name2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one
SMILESCCn1c(=O)ccc2c(C)[n+](C)c(N)nc21
InChIInChI=1S/C11H14N4O/c1-4-15-9(16)6-5-8-7(2)14(3)11(12)13-10(8)15/h5-6,12H,4H2,1-3H3/p+1
InChIKeyQDOUMELHMRIOEK-UHFFFAOYSA-O
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
2-Amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258869
2-Amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59259006
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
5-[[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]amino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 145617554
4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one
CID 155120378
CID 163509323
CID 163509323
8-Ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 163850656
4-(Difluoromethyl)-2-methylsulfanyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 176025216

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one?
The IUPAC name of 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one (CID 123182116) is 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one.
What is the SMILES notation for 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one?
The canonical SMILES for 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one is CCn1c(=O)ccc2c(C)[n+](C)c(N)nc21.
What is the InChIKey of 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one?
The InChIKey is QDOUMELHMRIOEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N4O/c1-4-15-9(16)6-5-8-7(2)14(3)11(12)13-10(8)15/h5-6,12H,4H2,1-3H3/p+1.
What are the key properties of 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one?
2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one has a molecular weight of 219.27 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-3,4-dimethylpyrido[2,3-d]pyrimidin-3-ium-7-one is sourced from PubChem (CID 123182116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).