2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C11H15N3O2 — CID 172576399

IUPAC2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc2c(c(OC(C)C)n1)C(=O)NCC2
InChIInChI=1S/C11H15N3O2/c1-6(2)16-11-9-8(13-7(3)14-11)4-5-12-10(9)15/h6H,4-5H2,1-3H3,(H,12,15)
InChIKeyKHOSYOMMWFEQCK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.86
Rot. Bonds2

About 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576399) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576399
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc2c(c(OC(C)C)n1)C(=O)NCC2
InChIInChI=1S/C11H15N3O2/c1-6(2)16-11-9-8(13-7(3)14-11)4-5-12-10(9)15/h6H,4-5H2,1-3H3,(H,12,15)
InChIKeyKHOSYOMMWFEQCK-UHFFFAOYSA-N
XLogP0.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576399) is 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc2c(c(OC(C)C)n1)C(=O)NCC2.
What is the InChIKey of 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KHOSYOMMWFEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6(2)16-11-9-8(13-7(3)14-11)4-5-12-10(9)15/h6H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 221.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).