1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one

C11H15N3O — CID 83859099

IUPAC1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ncnc2c1CN(C)CC2
InChIInChI=1S/C11H15N3O/c1-8(15)5-11-9-6-14(2)4-3-10(9)12-7-13-11/h7H,3-6H2,1-2H3
InChIKeyVVVNMKRGTDSCMJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.60
Rot. Bonds2

About 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one

1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one (PubChem CID 83859099) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
PubChem CID83859099
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ncnc2c1CN(C)CC2
InChIInChI=1S/C11H15N3O/c1-8(15)5-11-9-6-14(2)4-3-10(9)12-7-13-11/h7H,3-6H2,1-2H3
InChIKeyVVVNMKRGTDSCMJ-UHFFFAOYSA-N
XLogP0.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one (CID 83859099) is 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one is CC(=O)Cc1ncnc2c1CN(C)CC2.
What is the InChIKey of 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one?
The InChIKey is VVVNMKRGTDSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(15)5-11-9-6-14(2)4-3-10(9)12-7-13-11/h7H,3-6H2,1-2H3.
What are the key properties of 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one?
1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 83859099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).