5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C21H24N4O2 — CID 66959557

IUPAC5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-3-22-19-18-17(23-13-25(2)20(18)26)12-16(24-19)14-6-8-15(9-7-14)21(27)10-4-5-11-21/h6-9,12-13,27H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyLGYSFUQOFLOUBT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds4

About 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959557) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959557
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-3-22-19-18-17(23-13-25(2)20(18)26)12-16(24-19)14-6-8-15(9-7-14)21(27)10-4-5-11-21/h6-9,12-13,27H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyLGYSFUQOFLOUBT-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959557) is 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LGYSFUQOFLOUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-22-19-18-17(23-13-25(2)20(18)26)12-16(24-19)14-6-8-15(9-7-14)21(27)10-4-5-11-21/h6-9,12-13,27H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).