6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C16H27N5O2S — CID 58375363

IUPAC6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCc2nc(NCCCC3CCNCC3)ncc2C1
InChIInChI=1S/C16H27N5O2S/c1-24(22,23)21-10-6-15-14(12-21)11-19-16(20-15)18-7-2-3-13-4-8-17-9-5-13/h11,13,17H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyGGUINWZKHKLSRO-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.99
Rot. Bonds6

About 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 58375363) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID58375363
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCc2nc(NCCCC3CCNCC3)ncc2C1
InChIInChI=1S/C16H27N5O2S/c1-24(22,23)21-10-6-15-14(12-21)11-19-16(20-15)18-7-2-3-13-4-8-17-9-5-13/h11,13,17H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyGGUINWZKHKLSRO-UHFFFAOYSA-N
XLogP0.99
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 141217680
CID 157390434
CID 157390434
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92570262
3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
CID 92605838
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
5-(6-methoxy-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804548
N-methyl-2-[5-methyl-2-(3-piperidin-4-ylpropylamino)pyrimidin-4-yl]-1-benzothiophene-4-carboxamide
CID 68855999
4-[2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]ethyl]piperidine-1-carboxylic acid
CID 141217664
5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804884
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
6-[3-[1-(2-methoxypyrimidin-5-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 45275297

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 58375363) is 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CS(=O)(=O)N1CCc2nc(NCCCC3CCNCC3)ncc2C1.
What is the InChIKey of 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is GGUINWZKHKLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-24(22,23)21-10-6-15-14(12-21)11-19-16(20-15)18-7-2-3-13-4-8-17-9-5-13/h11,13,17H,2-10,12H2,1H3,(H,18,19,20).
What are the key properties of 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 353.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(3-piperidin-4-ylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58375363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).