2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol

C18H14ClN3O2 — CID 133445052

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
SMILESOCC(Nc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2/c19-12-7-5-11(6-8-12)14(9-23)22-18-17-16(20-10-21-18)13-3-1-2-4-15(13)24-17/h1-8,10,14,23H,9H2,(H,20,21,22)
InChIKeyFYTDWHOPVRCIEC-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.17
Rot. Bonds4

About 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol

2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol (PubChem CID 133445052) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
PubChem CID133445052
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
SMILESOCC(Nc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2/c19-12-7-5-11(6-8-12)14(9-23)22-18-17-16(20-10-21-18)13-3-1-2-4-15(13)24-17/h1-8,10,14,23H,9H2,(H,20,21,22)
InChIKeyFYTDWHOPVRCIEC-UHFFFAOYSA-N
XLogP4.17
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 138043444
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 41194411
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
CID 133406905
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 44662409
N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9116594
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol;hydrochloride
CID 24761188

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol (CID 133445052) is 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol is OCC(Nc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol?
The InChIKey is FYTDWHOPVRCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-12-7-5-11(6-8-12)14(9-23)22-18-17-16(20-10-21-18)13-3-1-2-4-15(13)24-17/h1-8,10,14,23H,9H2,(H,20,21,22).
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol?
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol has a molecular weight of 339.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 133445052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).