(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide

C17H20Cl2N6O2S — CID 1002161

IUPAC(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
SMILESCNc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20Cl2N6O2S/c1-10(14(26)21-11-3-4-12(18)13(19)9-11)28-17-23-15(20-2)22-16(24-17)25-5-7-27-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,20,22,23,24)/t10-/m1/s1
InChIKeyFQHCTPLAWAWDOI-SNVBAGLBSA-N
MW443.36 g/mol
LogP3.18
Rot. Bonds6

About (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide

(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide (PubChem CID 1002161) has the molecular formula C17H20Cl2N6O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
PubChem CID1002161
Molecular FormulaC17H20Cl2N6O2S
Molecular Weight443.36 g/mol
Exact Mass442.07
IUPAC Name(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
SMILESCNc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20Cl2N6O2S/c1-10(14(26)21-11-3-4-12(18)13(19)9-11)28-17-23-15(20-2)22-16(24-17)25-5-7-27-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,20,22,23,24)/t10-/m1/s1
InChIKeyFQHCTPLAWAWDOI-SNVBAGLBSA-N
XLogP3.18
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 650940
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 40963418
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7870535
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 46601417
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 46572840
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 100523475

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide (CID 1002161) is (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide is CNc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide?
The InChIKey is FQHCTPLAWAWDOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20Cl2N6O2S/c1-10(14(26)21-11-3-4-12(18)13(19)9-11)28-17-23-15(20-2)22-16(24-17)25-5-7-27-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)(H,20,22,23,24)/t10-/m1/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide?
(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide has a molecular weight of 443.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 1002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).