4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H18N6OS — CID 80773229

IUPAC4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6OS/c1-14-11-16-12(15-9-10-3-2-8-21-10)18-13(17-11)19-4-6-20-7-5-19/h2-3,8H,4-7,9H2,1H3,(H2,14,15,16,17,18)
InChIKeyHBKWVKQMQMMKGN-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.42
Rot. Bonds5

About 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773229) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773229
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6OS/c1-14-11-16-12(15-9-10-3-2-8-21-10)18-13(17-11)19-4-6-20-7-5-19/h2-3,8H,4-7,9H2,1H3,(H2,14,15,16,17,18)
InChIKeyHBKWVKQMQMMKGN-UHFFFAOYSA-N
XLogP1.42
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 102838573
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80792732
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
4-N-methyl-6-piperidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783369

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80773229) is 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NCc2cccs2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBKWVKQMQMMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-14-11-16-12(15-9-10-3-2-8-21-10)18-13(17-11)19-4-6-20-7-5-19/h2-3,8H,4-7,9H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 306.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).