7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C15H25N5O2S — CID 92625472

IUPAC7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCc2c(nc(C3CCNCC3)nc2NC)C1
InChIInChI=1S/C15H25N5O2S/c1-3-23(21,22)20-9-6-12-13(10-20)18-14(19-15(12)16-2)11-4-7-17-8-5-11/h11,17H,3-10H2,1-2H3,(H,16,18,19)
InChIKeyASDJLHYWNFDPSE-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.69
Rot. Bonds4

About 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 92625472) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID92625472
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCc2c(nc(C3CCNCC3)nc2NC)C1
InChIInChI=1S/C15H25N5O2S/c1-3-23(21,22)20-9-6-12-13(10-20)18-14(19-15(12)16-2)11-4-7-17-8-5-11/h11,17H,3-10H2,1-2H3,(H,16,18,19)
InChIKeyASDJLHYWNFDPSE-UHFFFAOYSA-N
XLogP0.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 118741824
N-methyl-7-piperidin-1-ylsulfonyl-2-[(3S)-pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 124976094
2-[(3R)-1-acetylpyrrolidin-3-yl]-N,N-diethyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
CID 125024170
7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110266016
N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92625534
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 110262139
(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 92624770
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 127251927
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127251909

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 92625472) is 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCS(=O)(=O)N1CCc2c(nc(C3CCNCC3)nc2NC)C1.
What is the InChIKey of 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ASDJLHYWNFDPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-3-23(21,22)20-9-6-12-13(10-20)18-14(19-15(12)16-2)11-4-7-17-8-5-11/h11,17H,3-10H2,1-2H3,(H,16,18,19).
What are the key properties of 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 339.47 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92625472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).