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

C18H21FN4O — CID 163850656

IUPAC8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=CC=C(F)CC3)c(=O)n(CC)c2n1
InChIInChI=1S/C18H21FN4O/c1-4-20-18-21-11(3)14-10-15(12-6-8-13(19)9-7-12)17(24)23(5-2)16(14)22-18/h6,8,10H,4-5,7,9H2,1-3H3,(H,20,21,22)
InChIKeyOUBMMDOEGQYOFL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.58
Rot. Bonds4

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

8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163850656) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163850656
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=CC=C(F)CC3)c(=O)n(CC)c2n1
InChIInChI=1S/C18H21FN4O/c1-4-20-18-21-11(3)14-10-15(12-6-8-13(19)9-7-12)17(24)23(5-2)16(14)22-18/h6,8,10H,4-5,7,9H2,1-3H3,(H,20,21,22)
InChIKeyOUBMMDOEGQYOFL-UHFFFAOYSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[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
2-Amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258999
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
6-(2,4-Difluorophenyl)-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124043
6-(3,4-Difluorophenyl)-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124150
8-Ethyl-2-(ethylamino)-6-(3-fluorophenyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124154
8-Ethyl-2-(ethylamino)-6-(2-fluorophenyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124257
8-Ethyl-2-(ethylamino)-6-(4-fluorophenyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124259
2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67246185
6-(2,4-Difluorophenyl)-8-ethyl-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 67478379
8-Ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
CID 70665922

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 163850656) is 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(C3=CC=C(F)CC3)c(=O)n(CC)c2n1.
What is the InChIKey of 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OUBMMDOEGQYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-4-20-18-21-11(3)14-10-15(12-6-8-13(19)9-7-12)17(24)23(5-2)16(14)22-18/h6,8,10H,4-5,7,9H2,1-3H3,(H,20,21,22).
What are the key properties of 8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 328.39 g/mol, XLogP of 3.58, 4 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-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163850656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).