3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol

C18H23N5O2 — CID 124946316

IUPAC3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol
SMILESNc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3cccc(O)c3)CC1)C2
InChIInChI=1S/C18H23N5O2/c19-15-14-10-18(25-16(14)22-17(20)21-15)5-2-7-23(8-6-18)11-12-3-1-4-13(24)9-12/h1,3-4,9,24H,2,5-8,10-11H2,(H4,19,20,21,22)/t18-/m0/s1
InChIKeyBXIXYDPKHHAVCR-SFHVURJKSA-N
MW341.42 g/mol
LogP1.71
Rot. Bonds2

About 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol

3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol (PubChem CID 124946316) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol
PubChem CID124946316
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol
SMILESNc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3cccc(O)c3)CC1)C2
InChIInChI=1S/C18H23N5O2/c19-15-14-10-18(25-16(14)22-17(20)21-15)5-2-7-23(8-6-18)11-12-3-1-4-13(24)9-12/h1,3-4,9,24H,2,5-8,10-11H2,(H4,19,20,21,22)/t18-/m0/s1
InChIKeyBXIXYDPKHHAVCR-SFHVURJKSA-N
XLogP1.71
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol with MolForge

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Related Compounds

(6S)-1'-[(4-propan-2-yloxyphenyl)methyl]spiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-diamine
CID 124967614
2-[2-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-carbonyl)phenyl]benzoic acid
CID 110076221
3-(spiro[azepane-4,2'-chromene]-1-ylmethyl)phenol
CID 50958228
2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 166241593
1-[(3-hydroxyphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161649
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol
CID 136562534
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246

Frequently Asked Questions

What is the IUPAC name of 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol?
The IUPAC name of 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol (CID 124946316) is 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol.
What is the SMILES notation for 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol?
The canonical SMILES for 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol is Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3cccc(O)c3)CC1)C2.
What is the InChIKey of 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol?
The InChIKey is BXIXYDPKHHAVCR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-15-14-10-18(25-16(14)22-17(20)21-15)5-2-7-23(8-6-18)11-12-3-1-4-13(24)9-12/h1,3-4,9,24H,2,5-8,10-11H2,(H4,19,20,21,22)/t18-/m0/s1.
What are the key properties of 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol?
3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol has a molecular weight of 341.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol is sourced from PubChem (CID 124946316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).