(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C18H24N6OS — CID 41176329

IUPAC(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H24N6OS/c1-11(26-10-15-21-17(19)23-18(22-15)24(2)3)16(25)20-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,4-6,10H2,1-3H3,(H,20,25)(H2,19,21,22,23)/t11-/m1/s1
InChIKeySWTSPKRIIMQXRB-LLVKDONJSA-N
MW372.50 g/mol
LogP2.27
Rot. Bonds6

About (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 41176329) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID41176329
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H24N6OS/c1-11(26-10-15-21-17(19)23-18(22-15)24(2)3)16(25)20-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,4-6,10H2,1-3H3,(H,20,25)(H2,19,21,22,23)/t11-/m1/s1
InChIKeySWTSPKRIIMQXRB-LLVKDONJSA-N
XLogP2.27
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
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2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
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6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
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(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 41176329) is (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is SWTSPKRIIMQXRB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-11(26-10-15-21-17(19)23-18(22-15)24(2)3)16(25)20-14-8-7-12-5-4-6-13(12)9-14/h7-9,11H,4-6,10H2,1-3H3,(H,20,25)(H2,19,21,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 372.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 41176329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).