1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone

C16H25N5O — CID 56870004

IUPAC1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)CN1CCCCC1)C2
InChIInChI=1S/C16H25N5O/c1-19(2)16-13-6-9-21(10-14(13)17-12-18-16)15(22)11-20-7-4-3-5-8-20/h12H,3-11H2,1-2H3
InChIKeySVOUWGWGHDQJDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.91
Rot. Bonds3

About 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone

1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone (PubChem CID 56870004) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone
PubChem CID56870004
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)CN1CCCCC1)C2
InChIInChI=1S/C16H25N5O/c1-19(2)16-13-6-9-21(10-14(13)17-12-18-16)15(22)11-20-7-4-3-5-8-20/h12H,3-11H2,1-2H3
InChIKeySVOUWGWGHDQJDR-UHFFFAOYSA-N
XLogP0.91
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 56802043
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
CID 56803042
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
7-(Cyclopropylcarbonyl)-4-(3-propoxypiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56861879
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
2-[[7-Acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl](methyl)amino]ethanol
CID 56868073
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
1-{2-[2,4-bis(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}piperidin-4-ol
CID 56872378
1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone (CID 56870004) is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone is CN(C)c1ncnc2c1CCN(C(=O)CN1CCCCC1)C2.
What is the InChIKey of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone?
The InChIKey is SVOUWGWGHDQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19(2)16-13-6-9-21(10-14(13)17-12-18-16)15(22)11-20-7-4-3-5-8-20/h12H,3-11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone?
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone has a molecular weight of 303.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 56870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).