6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C14H17N5OS — CID 123284770

IUPAC6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2=NCNC2)cc2c(C)nc(SC)nc21
InChIInChI=1S/C14H17N5OS/c1-4-19-12-9(8(2)17-14(18-12)21-3)5-10(13(19)20)11-6-15-7-16-11/h5,15H,4,6-7H2,1-3H3
InChIKeyRJOUGCYQFGVACW-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.19
Rot. Bonds3

About 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 123284770) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID123284770
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C2=NCNC2)cc2c(C)nc(SC)nc21
InChIInChI=1S/C14H17N5OS/c1-4-19-12-9(8(2)17-14(18-12)21-3)5-10(13(19)20)11-6-15-7-16-11/h5,15H,4,6-7H2,1-3H3
InChIKeyRJOUGCYQFGVACW-UHFFFAOYSA-N
XLogP1.19
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one with MolForge

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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
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
6-fluoro-2-methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073456
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
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
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 162600258
4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 5358634

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 123284770) is 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(C2=NCNC2)cc2c(C)nc(SC)nc21.
What is the InChIKey of 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RJOUGCYQFGVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-19-12-9(8(2)17-14(18-12)21-3)5-10(13(19)20)11-6-15-7-16-11/h5,15H,4,6-7H2,1-3H3.
What are the key properties of 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 303.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123284770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).