N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine

C25H30N8OS — CID 143864617

IUPACN-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
SMILESCCC(C)SNCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C25H30N8OS/c1-4-16(2)35-30-13-12-28-25-27-11-10-19(31-25)22-21(18-14-20(34-3)23(26)29-15-18)32-24(33-22)17-8-6-5-7-9-17/h5-11,14-16,30H,4,12-13H2,1-3H3,(H2,26,29)(H,32,33)(H,27,28,31)
InChIKeyNCARYKDGGIKLIN-UHFFFAOYSA-N
MW490.64 g/mol
LogP4.63
Rot. Bonds11

About N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine

N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine (PubChem CID 143864617) has the molecular formula C25H30N8OS and a molecular weight of 490.64 g/mol. Its IUPAC name is N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
PubChem CID143864617
Molecular FormulaC25H30N8OS
Molecular Weight490.64 g/mol
Exact Mass490.23
IUPAC NameN-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
SMILESCCC(C)SNCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C25H30N8OS/c1-4-16(2)35-30-13-12-28-25-27-11-10-19(31-25)22-21(18-14-20(34-3)23(26)29-15-18)32-24(33-22)17-8-6-5-7-9-17/h5-11,14-16,30H,4,12-13H2,1-3H3,(H2,26,29)(H,32,33)(H,27,28,31)
InChIKeyNCARYKDGGIKLIN-UHFFFAOYSA-N
XLogP4.63
TPSA126.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine with MolForge

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Related Compounds

N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
CID 143864629
N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide
CID 143864714
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
CID 143753859
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
1-[3-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 66591307
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine?
The IUPAC name of N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine (CID 143864617) is N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine.
What is the SMILES notation for N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine?
The canonical SMILES for N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine is CCC(C)SNCCNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2cnc(N)c(OC)c2)n1.
What is the InChIKey of N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine?
The InChIKey is NCARYKDGGIKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8OS/c1-4-16(2)35-30-13-12-28-25-27-11-10-19(31-25)22-21(18-14-20(34-3)23(26)29-15-18)32-24(33-22)17-8-6-5-7-9-17/h5-11,14-16,30H,4,12-13H2,1-3H3,(H2,26,29)(H,32,33)(H,27,28,31).
What are the key properties of N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine?
N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine has a molecular weight of 490.64 g/mol, XLogP of 4.63, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine is sourced from PubChem (CID 143864617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).