methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate

C14H23N5O3S — CID 1251508

IUPACmethyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(NCC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O3S/c1-10(2)8-15-12-16-13(19-4-6-22-7-5-19)18-14(17-12)23-9-11(20)21-3/h10H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOTNJMHOYCFLNRI-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.04
Rot. Bonds7

About methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate

methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate (PubChem CID 1251508) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
PubChem CID1251508
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Namemethyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(NCC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O3S/c1-10(2)8-15-12-16-13(19-4-6-22-7-5-19)18-14(17-12)23-9-11(20)21-3/h10H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyOTNJMHOYCFLNRI-UHFFFAOYSA-N
XLogP1.04
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

(4-Methylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester
CID 654176
Methyl {[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 935078
N-isobutyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 935626
ethyl N-({[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetyl)glycinate
CID 2242390
(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester
CID 650609
2-{[4-(Isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 898986
2-(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-propionic acid methyl ester
CID 644949
2-{[4-(Isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 934614
4-(ethylthio)-N-isopropyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2992695
2-{[4-(Methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 971565
2-[[4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 845210
2-{6-[(Tert-butyl)amino]-4-morpholin-4-yl-1,3,5-triazin-2-ylthio}acetamide
CID 978096

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate (CID 1251508) is methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate is COC(=O)CSc1nc(NCC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
The InChIKey is OTNJMHOYCFLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-10(2)8-15-12-16-13(19-4-6-22-7-5-19)18-14(17-12)23-9-11(20)21-3/h10H,4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate?
methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate has a molecular weight of 341.44 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetate is sourced from PubChem (CID 1251508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).