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

C11H13Cl2N5S — CID 80836550

IUPAC6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H13Cl2N5S/c1-2-5-14-10-16-9(13)17-11(18-10)15-6-7-3-4-8(12)19-7/h3-4H,2,5-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyOXYXPDCGMVIOMP-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.67
Rot. Bonds6

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

6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80836550) has the molecular formula C11H13Cl2N5S and a molecular weight of 318.23 g/mol. Its IUPAC name is 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80836550
Molecular FormulaC11H13Cl2N5S
Molecular Weight318.23 g/mol
Exact Mass317.03
IUPAC Name6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H13Cl2N5S/c1-2-5-14-10-16-9(13)17-11(18-10)15-6-7-3-4-8(12)19-7/h3-4H,2,5-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyOXYXPDCGMVIOMP-UHFFFAOYSA-N
XLogP3.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836555
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821924
N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80912485
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80836550) is 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCc2ccc(Cl)s2)n1.
What is the InChIKey of 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OXYXPDCGMVIOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5S/c1-2-5-14-10-16-9(13)17-11(18-10)15-6-7-3-4-8(12)19-7/h3-4H,2,5-6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 318.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).