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

C11H13BrClN5S — CID 80836555

IUPAC2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H13BrClN5S/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)
InChIKeyYKSRDUFXKFMVQB-UHFFFAOYSA-N
MW362.68 g/mol
LogP3.78
Rot. Bonds6

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

2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80836555) has the molecular formula C11H13BrClN5S and a molecular weight of 362.68 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80836555
Molecular FormulaC11H13BrClN5S
Molecular Weight362.68 g/mol
Exact Mass360.98
IUPAC Name2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H13BrClN5S/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)
InChIKeyYKSRDUFXKFMVQB-UHFFFAOYSA-N
XLogP3.78
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836550
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
6-N-[(5-bromothiophen-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785336
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-N-[(5-bromothiophen-2-yl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80836556
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102758505
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
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
4-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106043042

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80836555) is 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCc2ccc(Br)s2)n1.
What is the InChIKey of 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YKSRDUFXKFMVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN5S/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 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 362.68 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80836555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).