2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine

C13H18ClN5OS — CID 80780610

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5OS/c1-4-7-20-13-17-11(15-2)16-12(18-13)19(3)8-9-5-6-10(14)21-9/h5-6H,4,7-8H2,1-3H3,(H,15,16,17,18)
InChIKeyNMAUNNGDWBGENV-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.05
Rot. Bonds7

About 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80780610) has the molecular formula C13H18ClN5OS and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80780610
Molecular FormulaC13H18ClN5OS
Molecular Weight327.84 g/mol
Exact Mass327.09
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C13H18ClN5OS/c1-4-7-20-13-17-11(15-2)16-12(18-13)19(3)8-9-5-6-10(14)21-9/h5-6H,4,7-8H2,1-3H3,(H,15,16,17,18)
InChIKeyNMAUNNGDWBGENV-UHFFFAOYSA-N
XLogP3.05
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80779456
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821924
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80812961
4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780556
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80780610) is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(C)Cc2ccc(Cl)s2)n1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NMAUNNGDWBGENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5OS/c1-4-7-20-13-17-11(15-2)16-12(18-13)19(3)8-9-5-6-10(14)21-9/h5-6H,4,7-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 327.84 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).