2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane

C63H99N13OS — CID 159246795

IUPAC2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane
SMILESC.C.C.C.C.CC(C)(C)c1cc2cnc(N)cc2o1.CC(C)(C)c1cc2cnc(N)cc2s1.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21
InChIInChI=1S/3C12H17N3.C11H14N2O.C11H14N2S.5CH4/c3*1-12(2,3)10-5-8-7-14-11(13)6-9(8)15(10)4;2*1-11(2,3)9-4-7-6-13-10(12)5-8(7)14-9;;;;;/h3*5-7H,1-4H3,(H2,13,14);2*4-6H,1-3H3,(H2,12,13);5*1H4
InChIKeyKUTYNLJDXPAPDV-UHFFFAOYSA-N
MW1086.64 g/mol
LogP16.42
Rot. Bonds

About 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane

2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane (PubChem CID 159246795) has the molecular formula C63H99N13OS and a molecular weight of 1086.64 g/mol. Its IUPAC name is 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane.

Molecular Properties

Compound Name2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane
PubChem CID159246795
Molecular FormulaC63H99N13OS
Molecular Weight1086.64 g/mol
Exact Mass1085.78
IUPAC Name2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane
SMILESC.C.C.C.C.CC(C)(C)c1cc2cnc(N)cc2o1.CC(C)(C)c1cc2cnc(N)cc2s1.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21
InChIInChI=1S/3C12H17N3.C11H14N2O.C11H14N2S.5CH4/c3*1-12(2,3)10-5-8-7-14-11(13)6-9(8)15(10)4;2*1-11(2,3)9-4-7-6-13-10(12)5-8(7)14-9;;;;;/h3*5-7H,1-4H3,(H2,13,14);2*4-6H,1-3H3,(H2,12,13);5*1H4
InChIKeyKUTYNLJDXPAPDV-UHFFFAOYSA-N
XLogP16.42
TPSA222.48 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.64
LogP ≤ 516.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane with MolForge

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Related Compounds

6-[(4-Aminothieno[3,2-c]pyridin-2-yl)methyl]-2-methylfuro[3,2-c]pyridin-4-amine
CID 126612334
CID 155649992
CID 155649992
CID 155649997
CID 155649997
2-[1-(4-Amino-2-methylthieno[3,2-c]pyridin-6-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 156108121
2-tert-butyl-1,4-dimethylpyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,5-dimethylpyrrolo[2,3-c]pyridine);2-tert-butylfuro[2,3-c]pyridin-5-amine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-5-amine);bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-4-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylthieno[2,3-c]pyridin-5-amine;methane
CID 157205492
2-Dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine;9-(6-methyl-4-phenyl-2-pyridinyl)carbazole;9-(3-methyl-5-pyridin-4-ylphenyl)carbazole
CID 157443051
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157601148
bis(2-tert-butyl-1,5-dimethylpyrrolo[2,3-c]pyridine);2-tert-butylfuro[2,3-c]pyridin-5-amine;bis(2-tert-butyl-3-methylfuro[2,3-c]pyridine);2-tert-butyl-5-methylfuro[2,3-c]pyridine;2-tert-butyl-5-methyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-3-methylthieno[2,3-c]pyridine);2-tert-butyl-5-methylthieno[2,3-c]pyridine;2-tert-butylthieno[2,3-c]pyridin-5-amine;2-tert-butylthieno[2,3-c]pyridine
CID 157674518
9-[5-(1-Benzofuran-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylindol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;hexakis(palladium(2+))
CID 157803166
10,12,14-Triphenyl-2-(2-phenylpyrimidin-5-yl)-10,12,14-triaza-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;8-(10,12,14-triphenyl-10,12,14-triaza-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaen-2-yl)-[1]benzofuro[3,2-c]pyridine;1-(10,12,14-triphenyl-10,12,14-triaza-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaen-2-yl)-[1]benzothiolo[2,3-c]pyridine;4-(10,12,14-triphenyl-10,12,14-triaza-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 157818364
4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridin-6-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-5-amine;bis(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-3-methylthieno[2,3-c]pyridin-5-amine;3-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-amine;2-tert-butylthieno[3,2-c]pyridin-6-amine
CID 157824508
CID 157899076
CID 157899076

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane?
The IUPAC name of 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane (CID 159246795) is 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane.
What is the SMILES notation for 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane?
The canonical SMILES for 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane is C.C.C.C.C.CC(C)(C)c1cc2cnc(N)cc2o1.CC(C)(C)c1cc2cnc(N)cc2s1.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21.Cn1c(C(C)(C)C)cc2cnc(N)cc21.
What is the InChIKey of 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane?
The InChIKey is KUTYNLJDXPAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H17N3.C11H14N2O.C11H14N2S.5CH4/c3*1-12(2,3)10-5-8-7-14-11(13)6-9(8)15(10)4;2*1-11(2,3)9-4-7-6-13-10(12)5-8(7)14-9;;;;;/h3*5-7H,1-4H3,(H2,13,14);2*4-6H,1-3H3,(H2,12,13);5*1H4.
What are the key properties of 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane?
2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane has a molecular weight of 1086.64 g/mol, XLogP of 16.42, 0 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuro[3,2-c]pyridin-6-amine;tris(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);2-tert-butylthieno[3,2-c]pyridin-6-amine;methane is sourced from PubChem (CID 159246795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).