5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine

C20H22N4O3 — CID 166698250

IUPAC5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine
SMILESCc1ncnc2c1ccn2C1CC(Oc2cccc3c2CC(N)CO3)CO1
InChIInChI=1S/C20H22N4O3/c1-12-15-5-6-24(20(15)23-11-22-12)19-8-14(10-26-19)27-18-4-2-3-17-16(18)7-13(21)9-25-17/h2-6,11,13-14,19H,7-10,21H2,1H3
InChIKeyDXVTUWSLWUGTBM-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.37
Rot. Bonds3

About 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine

5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 166698250) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID166698250
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine
SMILESCc1ncnc2c1ccn2C1CC(Oc2cccc3c2CC(N)CO3)CO1
InChIInChI=1S/C20H22N4O3/c1-12-15-5-6-24(20(15)23-11-22-12)19-8-14(10-26-19)27-18-4-2-3-17-16(18)7-13(21)9-25-17/h2-6,11,13-14,19H,7-10,21H2,1H3
InChIKeyDXVTUWSLWUGTBM-UHFFFAOYSA-N
XLogP2.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-8-[(3S)-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-1,2,3,4-tetrahydroisoquinoline
CID 166698045
3-[(3-amino-3,4-dihydro-2H-chromen-5-yl)oxy]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1,2-diol;bis(3-[(8-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1,2-diol);3-(4-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yloxy)cyclopentane-1,2-diol
CID 159982023
(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
CID 69173545
(1S,2S,3S,5R)-3-[[8-(difluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]oxy]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1S,2S,3S,5R)-3-[(6-ethoxy-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)oxy]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(3S)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]oxy]cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl)oxy]cyclopentane-1,2-diol
CID 159888088
bis[(1S,2S,3S,4R)-2,3-dihydroxy-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl] carbonate
CID 138521086
5-fluoro-7-[4-[(5-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)oxy]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166698160
(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
CID 130607809
(2S,3S,4R,5R)-2-[(1R)-5-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139488492
(1S,2S,3S,5R)-3-[(5,6-difluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)oxy]-5-(3-fluoro-4-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yloxy)cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(6S)-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(6R)-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]cyclopentane-1,2-diol
CID 157219368
(1S,2S,5R)-3-[(5-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)oxy]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
CID 166698228
(1S,2S,5R)-3-[[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
CID 162679535
(3-chlorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145143731

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine (CID 166698250) is 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine is Cc1ncnc2c1ccn2C1CC(Oc2cccc3c2CC(N)CO3)CO1.
What is the InChIKey of 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is DXVTUWSLWUGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-15-5-6-24(20(15)23-11-22-12)19-8-14(10-26-19)27-18-4-2-3-17-16(18)7-13(21)9-25-17/h2-6,11,13-14,19H,7-10,21H2,1H3.
What are the key properties of 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine?
5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 366.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 166698250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).