4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine

C9H12Cl2N4O — CID 63705913

IUPAC4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CCOCC2)n1
InChIInChI=1S/C9H12Cl2N4O/c10-7-13-8(11)15-9(14-7)12-5-6-1-3-16-4-2-6/h6H,1-5H2,(H,12,13,14,15)
InChIKeyPQMWJUJKWCZMOL-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.02
Rot. Bonds3

About 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63705913) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63705913
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CCOCC2)n1
InChIInChI=1S/C9H12Cl2N4O/c10-7-13-8(11)15-9(14-7)12-5-6-1-3-16-4-2-6/h6H,1-5H2,(H,12,13,14,15)
InChIKeyPQMWJUJKWCZMOL-UHFFFAOYSA-N
XLogP2.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62868886
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
6-bromo-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795913
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 90159113
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine (CID 63705913) is 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCC2CCOCC2)n1.
What is the InChIKey of 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is PQMWJUJKWCZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c10-7-13-8(11)15-9(14-7)12-5-6-1-3-16-4-2-6/h6H,1-5H2,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 263.13 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63705913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).