2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide

C15H21ClN6O2S — CID 153396614

IUPAC2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C2CCNCC2)nc2cnc(Cl)cc12
InChIInChI=1S/C15H21ClN6O2S/c1-17-25(23,24)7-6-19-15-11-8-13(16)20-9-12(11)21-14(22-15)10-2-4-18-5-3-10/h8-10,17-18H,2-7H2,1H3,(H,19,21,22)
InChIKeyJPOFVQRGQLFJIL-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.11
Rot. Bonds6

About 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 153396614) has the molecular formula C15H21ClN6O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID153396614
Molecular FormulaC15H21ClN6O2S
Molecular Weight384.89 g/mol
Exact Mass384.11
IUPAC Name2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C2CCNCC2)nc2cnc(Cl)cc12
InChIInChI=1S/C15H21ClN6O2S/c1-17-25(23,24)7-6-19-15-11-8-13(16)20-9-12(11)21-14(22-15)10-2-4-18-5-3-10/h8-10,17-18H,2-7H2,1H3,(H,19,21,22)
InChIKeyJPOFVQRGQLFJIL-UHFFFAOYSA-N
XLogP1.11
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(3-methylphenyl)ethanesulfonamide
CID 146309259
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 146309391
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
3-[[(6-chloro-2-piperazin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]methyl]-1,3-dihydroindol-2-one
CID 146309252
6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;1-chloropropane;deuterio(fluoro)methane
CID 167574262
5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
CID 82380609

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 153396614) is 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc(C2CCNCC2)nc2cnc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is JPOFVQRGQLFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2S/c1-17-25(23,24)7-6-19-15-11-8-13(16)20-9-12(11)21-14(22-15)10-2-4-18-5-3-10/h8-10,17-18H,2-7H2,1H3,(H,19,21,22).
What are the key properties of 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 153396614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).