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

C20H22N4O2 — CID 50924273

IUPAC5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22N4O2/c1-3-21-18-17-16(22-12-24(2)19(17)25)11-15(23-18)13-5-7-14(8-6-13)20(26)9-4-10-20/h5-8,11-12,26H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyDZQIMQWUPRVZES-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.80
Rot. Bonds4

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

5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924273) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924273
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22N4O2/c1-3-21-18-17-16(22-12-24(2)19(17)25)11-15(23-18)13-5-7-14(8-6-13)20(26)9-4-10-20/h5-8,11-12,26H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyDZQIMQWUPRVZES-UHFFFAOYSA-N
XLogP2.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.80
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-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924273) is 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DZQIMQWUPRVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-21-18-17-16(22-12-24(2)19(17)25)11-15(23-18)13-5-7-14(8-6-13)20(26)9-4-10-20/h5-8,11-12,26H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of 5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.80, 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-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).