8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C20H25FN4O — CID 123436499

IUPAC8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=C(F)CC(CC)C=C3)c(=O)n(CC)c2n1
InChIInChI=1S/C20H25FN4O/c1-5-13-8-9-14(17(21)10-13)16-11-15-12(4)23-20(22-6-2)24-18(15)25(7-3)19(16)26/h8-9,11,13H,5-7,10H2,1-4H3,(H,22,23,24)
InChIKeyHBBGIFSERNJQBX-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.22
Rot. Bonds5

About 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 123436499) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID123436499
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=C(F)CC(CC)C=C3)c(=O)n(CC)c2n1
InChIInChI=1S/C20H25FN4O/c1-5-13-8-9-14(17(21)10-13)16-11-15-12(4)23-20(22-6-2)24-18(15)25(7-3)19(16)26/h8-9,11,13H,5-7,10H2,1-4H3,(H,22,23,24)
InChIKeyHBBGIFSERNJQBX-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

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
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67246185
2-Amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 137384075
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
8-(2,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)-2-[2-(dimethylamino)ethyl-methylamino]-4-[(2Z,4E)-1-iodo-2,5-dimethyl-6-(propan-2-ylamino)hepta-2,4,6-trien-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 163418151
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
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

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 123436499) is 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(C3=C(F)CC(CC)C=C3)c(=O)n(CC)c2n1.
What is the InChIKey of 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HBBGIFSERNJQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-5-13-8-9-14(17(21)10-13)16-11-15-12(4)23-20(22-6-2)24-18(15)25(7-3)19(16)26/h8-9,11,13H,5-7,10H2,1-4H3,(H,22,23,24).
What are the key properties of 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 356.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123436499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).