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

C19H23N5O — CID 50924120

IUPAC7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H23N5O/c1-5-21-17-16-15(22-11-24(4)18(16)25)10-14(23-17)12-6-8-13(9-7-12)19(2,3)20/h6-11H,5,20H2,1-4H3,(H,21,23)
InChIKeyJFGYQTKOXIVGEK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.62
Rot. Bonds4

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

7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924120) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924120
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H23N5O/c1-5-21-17-16-15(22-11-24(4)18(16)25)10-14(23-17)12-6-8-13(9-7-12)19(2,3)20/h6-11H,5,20H2,1-4H3,(H,21,23)
InChIKeyJFGYQTKOXIVGEK-UHFFFAOYSA-N
XLogP2.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924120) is 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JFGYQTKOXIVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-21-17-16-15(22-11-24(4)18(16)25)10-14(23-17)12-6-8-13(9-7-12)19(2,3)20/h6-11H,5,20H2,1-4H3,(H,21,23).
What are the key properties of 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).