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

C17H19N5O2 — CID 66959870

IUPAC7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H19N5O2/c1-10(2)20-16-15-13(19-9-22(3)17(15)23)7-12(21-16)11-5-6-14(24-4)18-8-11/h5-10H,1-4H3,(H,20,21)
InChIKeyPCHLXIUIFIORTB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.22
Rot. Bonds4

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

7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959870) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959870
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H19N5O2/c1-10(2)20-16-15-13(19-9-22(3)17(15)23)7-12(21-16)11-5-6-14(24-4)18-8-11/h5-10H,1-4H3,(H,20,21)
InChIKeyPCHLXIUIFIORTB-UHFFFAOYSA-N
XLogP2.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959870) is 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PCHLXIUIFIORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)20-16-15-13(19-9-22(3)17(15)23)7-12(21-16)11-5-6-14(24-4)18-8-11/h5-10H,1-4H3,(H,20,21).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).