4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C15H17N7OS — CID 645619

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17N7OS/c16-13-19-12(20-14(21-13)22-5-7-23-8-6-22)9-24-15-17-10-3-1-2-4-11(10)18-15/h1-4H,5-9H2,(H,17,18)(H2,16,19,20,21)
InChIKeyVPCOSQVCVBCXDC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.46
Rot. Bonds4

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 645619) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID645619
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17N7OS/c16-13-19-12(20-14(21-13)22-5-7-23-8-6-22)9-24-15-17-10-3-1-2-4-11(10)18-15/h1-4H,5-9H2,(H,17,18)(H2,16,19,20,21)
InChIKeyVPCOSQVCVBCXDC-UHFFFAOYSA-N
XLogP1.46
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 645619) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is VPCOSQVCVBCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c16-13-19-12(20-14(21-13)22-5-7-23-8-6-22)9-24-15-17-10-3-1-2-4-11(10)18-15/h1-4H,5-9H2,(H,17,18)(H2,16,19,20,21).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 343.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 645619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).