4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane

C16H21N5O2S — CID 158519057

IUPAC4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
SMILESCOc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1.S
InChIInChI=1S/C16H19N5O2.H2S/c1-22-10-4-5-12-11(7-10)13-14(23-12)15(20-16(18)19-13)21-6-2-3-9(17)8-21;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H2,18,19,20);1H2/t9-;/m0./s1
InChIKeyHLZKWEHDSXQGNN-FVGYRXGTSA-N
MW347.44 g/mol
LogP2.01
Rot. Bonds2

About 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane

4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane (PubChem CID 158519057) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane.

Molecular Properties

Compound Name4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
PubChem CID158519057
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
SMILESCOc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1.S
InChIInChI=1S/C16H19N5O2.H2S/c1-22-10-4-5-12-11(7-10)13-14(23-12)15(20-16(18)19-13)21-6-2-3-9(17)8-21;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H2,18,19,20);1H2/t9-;/m0./s1
InChIKeyHLZKWEHDSXQGNN-FVGYRXGTSA-N
XLogP2.01
TPSA103.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane with MolForge

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Related Compounds

(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine
CID 141199081
acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 172762962
4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 143609927
4-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 158952679
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67430694
8-bromo-4-[(3S)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24946004
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
[(3S)-1-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl] N-methylcarbamate
CID 69153381
2-ethyl-4-[(3R)-3-methylpiperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 6546581
4-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826357
8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
CID 24946753
8-chloro-4-[(4R)-1,3-diazabicyclo[2.2.1]heptan-3-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67456350

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane?
The IUPAC name of 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane (CID 158519057) is 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane.
What is the SMILES notation for 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane?
The canonical SMILES for 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane is COc1ccc2oc3c(N4CCC[C@H](N)C4)nc(N)nc3c2c1.S.
What is the InChIKey of 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane?
The InChIKey is HLZKWEHDSXQGNN-FVGYRXGTSA-N. The full InChI is InChI=1S/C16H19N5O2.H2S/c1-22-10-4-5-12-11(7-10)13-14(23-12)15(20-16(18)19-13)21-6-2-3-9(17)8-21;/h4-5,7,9H,2-3,6,8,17H2,1H3,(H2,18,19,20);1H2/t9-;/m0./s1.
What are the key properties of 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane?
4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane has a molecular weight of 347.44 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane is sourced from PubChem (CID 158519057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).