N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide

C18H23N5O2S — CID 139655224

IUPACN-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(C(C)Nc2nc(NC(=O)C3CC3)nc(SC)n2)ccc1C
InChIInChI=1S/C18H23N5O2S/c1-10-5-6-13(9-14(10)25-3)11(2)19-16-21-17(23-18(22-16)26-4)20-15(24)12-7-8-12/h5-6,9,11-12H,7-8H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeySFEMAQWUMSRUIU-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide

N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide (PubChem CID 139655224) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide
PubChem CID139655224
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(C(C)Nc2nc(NC(=O)C3CC3)nc(SC)n2)ccc1C
InChIInChI=1S/C18H23N5O2S/c1-10-5-6-13(9-14(10)25-3)11(2)19-16-21-17(23-18(22-16)26-4)20-15(24)12-7-8-12/h5-6,9,11-12H,7-8H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeySFEMAQWUMSRUIU-UHFFFAOYSA-N
XLogP3.43
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide
CID 139655199
2-N-[1-(3-chloro-4-methoxyphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594743
2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594762
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxamide
CID 87426869
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide (CID 139655224) is N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide is COc1cc(C(C)Nc2nc(NC(=O)C3CC3)nc(SC)n2)ccc1C.
What is the InChIKey of N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide?
The InChIKey is SFEMAQWUMSRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-10-5-6-13(9-14(10)25-3)11(2)19-16-21-17(23-18(22-16)26-4)20-15(24)12-7-8-12/h5-6,9,11-12H,7-8H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide?
N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139655224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).