4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C22H27N5O3 — CID 158489738

IUPAC4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN(CCO)CCOc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2
InChIInChI=1S/C22H27N5O3/c1-26(8-10-28)9-11-30-22-24-19-14-27(7-6-18(19)21(23)25-22)20-13-16(29)12-15-4-2-3-5-17(15)20/h2-5,12-13,28-29H,6-11,14H2,1H3,(H2,23,24,25)
InChIKeyRFTNAMCONOKQGA-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.78
Rot. Bonds7

About 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 158489738) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID158489738
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN(CCO)CCOc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2
InChIInChI=1S/C22H27N5O3/c1-26(8-10-28)9-11-30-22-24-19-14-27(7-6-18(19)21(23)25-22)20-13-16(29)12-15-4-2-3-5-17(15)20/h2-5,12-13,28-29H,6-11,14H2,1H3,(H2,23,24,25)
InChIKeyRFTNAMCONOKQGA-UHFFFAOYSA-N
XLogP1.78
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-amino-2-[2-(diethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 160514019
4-[4-amino-2-(2-pyridin-2-ylethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 157295102
4-[4-amino-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N-ethyl-N-propylprop-2-enamide
CID 159562333
4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159537973
7-[[2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-propylamino]hept-1-en-3-one
CID 163891573
4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159079640
4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159225386
4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 163231026
4-[4-amino-2-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N,N-diethylprop-2-enamide
CID 159679011
4-[4-amino-2-[(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 157426302
4-[4-amino-2-[3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N,N-diethylprop-2-enamide
CID 157446362
1-[6-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]prop-2-en-1-one;1-[6-[2-[1-(dimethylamino)propan-2-yloxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]prop-2-en-1-one;1-[4-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159095633

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 158489738) is 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CN(CCO)CCOc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.
What is the InChIKey of 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is RFTNAMCONOKQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-26(8-10-28)9-11-30-22-24-19-14-27(7-6-18(19)21(23)25-22)20-13-16(29)12-15-4-2-3-5-17(15)20/h2-5,12-13,28-29H,6-11,14H2,1H3,(H2,23,24,25).
What are the key properties of 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 409.49 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-[2-[2-hydroxyethyl(methyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 158489738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).