6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C16H19N5O2 — CID 24738266

IUPAC6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2c(OC)cccc23)C1
InChIInChI=1S/C16H19N5O2/c1-18-9-6-7-21(8-9)15-14-12(19-16(17)20-15)10-4-3-5-11(22-2)13(10)23-14/h3-5,9,18H,6-8H2,1-2H3,(H2,17,19,20)/t9-/m1/s1
InChIKeyBALPKVSWPQHYKY-SECBINFHSA-N
MW313.36 g/mol
LogP1.76
Rot. Bonds3

About 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24738266) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24738266
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2oc2c(OC)cccc23)C1
InChIInChI=1S/C16H19N5O2/c1-18-9-6-7-21(8-9)15-14-12(19-16(17)20-15)10-4-3-5-11(22-2)13(10)23-14/h3-5,9,18H,6-8H2,1-2H3,(H2,17,19,20)/t9-/m1/s1
InChIKeyBALPKVSWPQHYKY-SECBINFHSA-N
XLogP1.76
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 76538136
8,9-dichloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 74326567
8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25195513
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
8,9-dichloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429283
N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
CID 113282080
4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 158519057
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071320
8-fluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67430625
9-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 44628804
7-bromo-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429474

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24738266) is 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2oc2c(OC)cccc23)C1.
What is the InChIKey of 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is BALPKVSWPQHYKY-SECBINFHSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-18-9-6-7-21(8-9)15-14-12(19-16(17)20-15)10-4-3-5-11(22-2)13(10)23-14/h3-5,9,18H,6-8H2,1-2H3,(H2,17,19,20)/t9-/m1/s1.
What are the key properties of 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24738266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).