5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one

C19H22N6O2 — CID 66959356

IUPAC5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N6O2/c1-3-20-18-17-15(22-12-24(2)19(17)26)10-14(23-18)13-4-5-16(21-11-13)25-6-8-27-9-7-25/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyNTOXBQPGIFSUHN-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.66
Rot. Bonds4

About 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959356) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959356
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N6O2/c1-3-20-18-17-15(22-12-24(2)19(17)26)10-14(23-18)13-4-5-16(21-11-13)25-6-8-27-9-7-25/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyNTOXBQPGIFSUHN-UHFFFAOYSA-N
XLogP1.66
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959356) is 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NTOXBQPGIFSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-20-18-17-15(22-12-24(2)19(17)26)10-14(23-18)13-4-5-16(21-11-13)25-6-8-27-9-7-25/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,23).
What are the key properties of 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-3-methyl-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).