benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane

C49H61IN10O2Si — CID 159280930

About benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane

benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane (PubChem CID 159280930) has the molecular formula C49H61IN10O2Si and a molecular weight of 977.08 g/mol. Its IUPAC name is benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane.

Molecular Properties

• Compound Name: benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane
• PubChem CID: 159280930
• Molecular Formula: C49H61IN10O2Si
• Molecular Weight: 977.08 g/mol
• Exact Mass: 976.38
• IUPAC Name: benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane
• SMILES: C[Si](C)(C)I.Cc1cnc(N[C@@H]2CCC[C@H](N)C2)nc1-c1c[nH]c2ccccc12.Cc1cnc(N[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C2)nc1-c1c[nH]c2ccccc12
• InChI: InChI=1S/C27H29N5O2.C19H23N5.C3H9ISi/c1-18-15-29-26(32-25(18)23-16-28-24-13-6-5-12-22(23)24)30-20-10-7-11-21(14-20)31-27(33)34-17-19-8-3-2-4-9-19;1-12-10-22-19(23-14-6-4-5-13(20)9-14)24-18(12)16-11-21-17-8-3-2-7-15(16)17;1-5(2,3)4/h2-6,8-9,12-13,15-16,20-21,28H,7,10-11,14,17H2,1H3,(H,31,33)(H,29,30,32);2-3,7-8,10-11,13-14,21H,4-6,9,20H2,1H3,(H,22,23,24);1-3H3/t20-,21+;13-,14+;/m10./s1
• InChIKey: KYXFXQVCKMRYSL-VSMZDPTPSA-N
• XLogP: 11.45
• TPSA: 171.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.08
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane?

The IUPAC name of benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane (CID 159280930) is benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane.

What is the SMILES notation for benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane?

The canonical SMILES for benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane is C[Si](C)(C)I.Cc1cnc(N[C@@H]2CCC[C@H](N)C2)nc1-c1c[nH]c2ccccc12.Cc1cnc(N[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C2)nc1-c1c[nH]c2ccccc12.

What is the InChIKey of benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane?

The InChIKey is KYXFXQVCKMRYSL-VSMZDPTPSA-N. The full InChI is InChI=1S/C27H29N5O2.C19H23N5.C3H9ISi/c1-18-15-29-26(32-25(18)23-16-28-24-13-6-5-12-22(23)24)30-20-10-7-11-21(14-20)31-27(33)34-17-19-8-3-2-4-9-19;1-12-10-22-19(23-14-6-4-5-13(20)9-14)24-18(12)16-11-21-17-8-3-2-7-15(16)17;1-5(2,3)4/h2-6,8-9,12-13,15-16,20-21,28H,7,10-11,14,17H2,1H3,(H,31,33)(H,29,30,32);2-3,7-8,10-11,13-14,21H,4-6,9,20H2,1H3,(H,22,23,24);1-3H3/t20-,21+;13-,14+;/m10./s1.

What are the key properties of benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane?

benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane has a molecular weight of 977.08 g/mol, XLogP of 11.45, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(1S,3R)-3-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1R,3S)-1-N-[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]cyclohexane-1,3-diamine;iodo(trimethyl)silane is sourced from PubChem (CID 159280930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).