6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C15H22N4O2 — CID 170538023

IUPAC6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(COCC)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C15H22N4O2/c1-5-16-15-17-8-11-7-12(9-21-6-2)14(20)19(10(3)4)13(11)18-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17,18)
InChIKeyCPXFSIWDAGXURA-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.34
Rot. Bonds6

About 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170538023) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170538023
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(COCC)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C15H22N4O2/c1-5-16-15-17-8-11-7-12(9-21-6-2)14(20)19(10(3)4)13(11)18-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17,18)
InChIKeyCPXFSIWDAGXURA-UHFFFAOYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 18374883
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one
CID 42609277
6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 163493437
6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954436
4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 22329773
6-(difluoromethyl)-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954312
3-[2-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892604
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
6-chloro-2-[2-methyl-4-(methylsulfanylmethyl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954194
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892157

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170538023) is 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2cc(COCC)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CPXFSIWDAGXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-16-15-17-8-11-7-12(9-21-6-2)14(20)19(10(3)4)13(11)18-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 290.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-2-(ethylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170538023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).