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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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).