5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H22N4O2 — CID 66959546

IUPAC5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O2/c1-5-20-17-16-15(21-11-23(4)18(16)24)10-14(22-17)12-6-8-13(9-7-12)19(2,3)25/h6-11,25H,5H2,1-4H3,(H,20,22)
InChIKeyHLHDGGAJRZOEIF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.65
Rot. Bonds4

About 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959546) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959546
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O2/c1-5-20-17-16-15(21-11-23(4)18(16)24)10-14(22-17)12-6-8-13(9-7-12)19(2,3)25/h6-11,25H,5H2,1-4H3,(H,20,22)
InChIKeyHLHDGGAJRZOEIF-UHFFFAOYSA-N
XLogP2.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.65
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-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959546) is 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HLHDGGAJRZOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-20-17-16-15(21-11-23(4)18(16)24)10-14(22-17)12-6-8-13(9-7-12)19(2,3)25/h6-11,25H,5H2,1-4H3,(H,20,22).
What are the key properties of 5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.65, 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-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).