6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H19BrN6S — CID 17416510

IUPAC6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC=CCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Br)s1
InChIInChI=1S/C14H19BrN6S/c1-4-7-21(8-10-5-6-11(15)22-10)9-12-17-13(16)19-14(18-12)20(2)3/h4-6H,1,7-9H2,2-3H3,(H2,16,17,18,19)
InChIKeyWUCURGUUDSCVMJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.53
Rot. Bonds7

About 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17416510) has the molecular formula C14H19BrN6S and a molecular weight of 383.32 g/mol. Its IUPAC name is 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17416510
Molecular FormulaC14H19BrN6S
Molecular Weight383.32 g/mol
Exact Mass382.06
IUPAC Name6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC=CCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Br)s1
InChIInChI=1S/C14H19BrN6S/c1-4-7-21(8-10-5-6-11(15)22-10)9-12-17-13(16)19-14(18-12)20(2)3/h4-6H,1,7-9H2,2-3H3,(H2,16,17,18,19)
InChIKeyWUCURGUUDSCVMJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34704927
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382673
4-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-7-hydroxychromen-2-one
CID 9299760
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(4-fluorophenyl)acetamide
CID 9299962
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9299712
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 46997748
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(3-methoxyphenyl)acetamide
CID 9299825
N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 54940208
methyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]acetate
CID 62010786

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17416510) is 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is C=CCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Br)s1.
What is the InChIKey of 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WUCURGUUDSCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6S/c1-4-7-21(8-10-5-6-11(15)22-10)9-12-17-13(16)19-14(18-12)20(2)3/h4-6H,1,7-9H2,2-3H3,(H2,16,17,18,19).
What are the key properties of 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 383.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17416510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).