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

C9H16ClN5O — CID 115303010

IUPACN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H16ClN5O/c1-6(4-11-2)5-12-8-13-7(10)14-9(15-8)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyYXQWHUUOZOLIKW-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.80
Rot. Bonds6

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

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115303010) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115303010
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H16ClN5O/c1-6(4-11-2)5-12-8-13-7(10)14-9(15-8)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyYXQWHUUOZOLIKW-UHFFFAOYSA-N
XLogP0.80
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine (CID 115303010) is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine is CNCC(C)CNc1nc(Cl)nc(OC)n1.
What is the InChIKey of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is YXQWHUUOZOLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-6(4-11-2)5-12-8-13-7(10)14-9(15-8)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine?
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 245.71 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115303010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).