6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C12H20ClN5O — CID 80846060

IUPAC6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)7-9-5-4-6-19-8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyJEKISWSMKJNNAO-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.82
Rot. Bonds5

About 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80846060) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80846060
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)7-9-5-4-6-19-8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyJEKISWSMKJNNAO-UHFFFAOYSA-N
XLogP1.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63706080
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640215
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
5-chloro-2-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80909109

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80846060) is 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(C)CC2CCCOC2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEKISWSMKJNNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)7-9-5-4-6-19-8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).