3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol

C23H22N4O3 — CID 133053538

IUPAC3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cc(NCc2ccccc2)cc(-c2nc(N3CCOCC3)c3occc3n2)c1
InChIInChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2
InChIKeyNOLJEVWXVAGNIQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.04
Rot. Bonds5

About 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol

3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 133053538) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol
PubChem CID133053538
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cc(NCc2ccccc2)cc(-c2nc(N3CCOCC3)c3occc3n2)c1
InChIInChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2
InChIKeyNOLJEVWXVAGNIQ-UHFFFAOYSA-N
XLogP4.04
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
CID 71454917
3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 159591396
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 66617926

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol (CID 133053538) is 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol is Oc1cc(NCc2ccccc2)cc(-c2nc(N3CCOCC3)c3occc3n2)c1.
What is the InChIKey of 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is NOLJEVWXVAGNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2.
What are the key properties of 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol?
3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 402.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-5-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 133053538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).