4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one

C12H15N3O3 — CID 91664539

IUPAC4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1nc(=O)n(OC(C)(C)C)c2ncccc12
InChIInChI=1S/C12H15N3O3/c1-12(2,3)18-15-9-8(6-5-7-13-9)10(17-4)14-11(15)16/h5-7H,1-4H3
InChIKeyHCNSVFYPBVWZFJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.03
Rot. Bonds2

About 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one

4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 91664539) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one
PubChem CID91664539
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1nc(=O)n(OC(C)(C)C)c2ncccc12
InChIInChI=1S/C12H15N3O3/c1-12(2,3)18-15-9-8(6-5-7-13-9)10(17-4)14-11(15)16/h5-7H,1-4H3
InChIKeyHCNSVFYPBVWZFJ-UHFFFAOYSA-N
XLogP1.03
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one (CID 91664539) is 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one is COc1nc(=O)n(OC(C)(C)C)c2ncccc12.
What is the InChIKey of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HCNSVFYPBVWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,3)18-15-9-8(6-5-7-13-9)10(17-4)14-11(15)16/h5-7H,1-4H3.
What are the key properties of 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one?
4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 91664539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).