4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

C13H18N4O — CID 123886165

IUPAC4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(CC)c2ccc(=O)n(CC)c2n1
InChIInChI=1S/C13H18N4O/c1-4-10-9-7-8-11(18)17(6-3)12(9)16-13(15-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyDYFDQIMQVMJCRY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds4

About 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123886165) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID123886165
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(CC)c2ccc(=O)n(CC)c2n1
InChIInChI=1S/C13H18N4O/c1-4-10-9-7-8-11(18)17(6-3)12(9)16-13(15-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyDYFDQIMQVMJCRY-UHFFFAOYSA-N
XLogP1.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
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
1-[3-[[2-(Dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
CID 56742152
1-(3-{[2-(dimethylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino}propyl)-6-methylpyridin-2(1H)-one
CID 56905757
6-methyl-1-[3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propyl]-2(1H)-pyridinone dihydrochloride
CID 56917219
6-ethyl-5-methyl-N~4~-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 72907037
US10202360, Example 325
CID 132007799
US10202360, Example 326
CID 132033613

Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 123886165) is 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is CCNc1nc(CC)c2ccc(=O)n(CC)c2n1.
What is the InChIKey of 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DYFDQIMQVMJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-10-9-7-8-11(18)17(6-3)12(9)16-13(15-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123886165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).