7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C18H21N5O2 — CID 66959492

IUPAC7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C18H21N5O2/c1-5-25-15-7-6-12(9-19-15)13-8-14-16(17(22-13)21-11(2)3)18(24)23(4)10-20-14/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyNURUZZBLMWQCNM-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.61
Rot. Bonds5

About 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959492) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959492
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C18H21N5O2/c1-5-25-15-7-6-12(9-19-15)13-8-14-16(17(22-13)21-11(2)3)18(24)23(4)10-20-14/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyNURUZZBLMWQCNM-UHFFFAOYSA-N
XLogP2.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959492) is 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1.
What is the InChIKey of 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NURUZZBLMWQCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-5-25-15-7-6-12(9-19-15)13-8-14-16(17(22-13)21-11(2)3)18(24)23(4)10-20-14/h6-11H,5H2,1-4H3,(H,21,22).
What are the key properties of 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).