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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Related Compounds

2-methyl-5-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 146077498
1-(5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl)ethanone
CID 141368944
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
CID 83832573
2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
CID 112708628
[(3S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 95138634
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
CID 83859055
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418475
6-methyl-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 127418120
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
CID 56777005
1-[4-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone
CID 71550734
2-N-methyl-5-N-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 167959589

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).