3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C10H18ClN5O — CID 62858823

IUPAC3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1nc(Cl)nc(NC(C)CCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-7(5-6-16(2)3)12-9-13-8(11)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyTUQLGOQWDJARTH-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.29
Rot. Bonds6

About 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 62858823) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID62858823
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1nc(Cl)nc(NC(C)CCN(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-7(5-6-16(2)3)12-9-13-8(11)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyTUQLGOQWDJARTH-UHFFFAOYSA-N
XLogP1.29
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine with MolForge

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Related Compounds

4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 65048061
3-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)butane-1,3-diamine
CID 83178530
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950213
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 62859672
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 115658924

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 62858823) is 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is COc1nc(Cl)nc(NC(C)CCN(C)C)n1.
What is the InChIKey of 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is TUQLGOQWDJARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-7(5-6-16(2)3)12-9-13-8(11)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 62858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).