N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide

C15H20N6OS — CID 40882562

IUPACN-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S[C@H](C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H20N6OS/c1-9(13-18-14(16)20-15(19-13)21(3)4)23-12-7-5-11(6-8-12)17-10(2)22/h5-9H,1-4H3,(H,17,22)(H2,16,18,19,20)/t9-/m1/s1
InChIKeyZPWARHVOYSZBTM-SECBINFHSA-N
MW332.43 g/mol
LogP2.33
Rot. Bonds5

About N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide

N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide (PubChem CID 40882562) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
PubChem CID40882562
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S[C@H](C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H20N6OS/c1-9(13-18-14(16)20-15(19-13)21(3)4)23-12-7-5-11(6-8-12)17-10(2)22/h5-9H,1-4H3,(H,17,22)(H2,16,18,19,20)/t9-/m1/s1
InChIKeyZPWARHVOYSZBTM-SECBINFHSA-N
XLogP2.33
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide (CID 40882562) is N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(S[C@H](C)c2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide?
The InChIKey is ZPWARHVOYSZBTM-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9(13-18-14(16)20-15(19-13)21(3)4)23-12-7-5-11(6-8-12)17-10(2)22/h5-9H,1-4H3,(H,17,22)(H2,16,18,19,20)/t9-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide?
N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 40882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).