2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol

C21H27N5O — CID 66959330

IUPAC2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
SMILESCN1C=Nc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCO)c2C1
InChIInChI=1S/C21H27N5O/c1-26-13-18-20(24-14-26)12-19(25-21(18)23-10-11-27)17-4-2-15(3-5-17)16-6-8-22-9-7-16/h2-5,12,14,16,22,27H,6-11,13H2,1H3,(H,23,25)
InChIKeyOFLWEKYQYOESJS-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds5

About 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol

2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol (PubChem CID 66959330) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
PubChem CID66959330
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
SMILESCN1C=Nc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCO)c2C1
InChIInChI=1S/C21H27N5O/c1-26-13-18-20(24-14-26)12-19(25-21(18)23-10-11-27)17-4-2-15(3-5-17)16-6-8-22-9-7-16/h2-5,12,14,16,22,27H,6-11,13H2,1H3,(H,23,25)
InChIKeyOFLWEKYQYOESJS-UHFFFAOYSA-N
XLogP2.72
TPSA72.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol with MolForge

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Related Compounds

2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
6-Ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23628221
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
2-(4-{4-[(1-Phenylethyl)amino]quinazolin-2-yl}piperazin-1-yl)ethanol
CID 2989844
2-((2-(3,4-Dihydroisoquinolin-2(1H)-yl)pyridin-4-yl)amino)ethanol
CID 9816863
2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-2-ylamino]-ethanol
CID 9835485
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]ethanol
CID 9905123
1-amino-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propan-2-ol
CID 9906329
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-ylamino]-ethanol
CID 9921863
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-ylamino]-ethanol
CID 9943680
1-Amino-3-(7-(4-(dimethylamino)phenyl)-1,6-naphthyridin-5-ylamino)propan-2-ol
CID 10149940

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol (CID 66959330) is 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol is CN1C=Nc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCO)c2C1.
What is the InChIKey of 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
The InChIKey is OFLWEKYQYOESJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-26-13-18-20(24-14-26)12-19(25-21(18)23-10-11-27)17-4-2-15(3-5-17)16-6-8-22-9-7-16/h2-5,12,14,16,22,27H,6-11,13H2,1H3,(H,23,25).
What are the key properties of 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol?
2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol has a molecular weight of 365.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-7-(4-piperidin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 66959330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).