4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C11H19ClN4O — CID 62858392

IUPAC4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-6-17-10-14-8(12)13-9(15-10)16(5)7-11(2,3)4/h6-7H2,1-5H3
InChIKeyVRYBTSBHTQEFPN-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858392) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858392
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-6-17-10-14-8(12)13-9(15-10)16(5)7-11(2,3)4/h6-7H2,1-5H3
InChIKeyVRYBTSBHTQEFPN-UHFFFAOYSA-N
XLogP2.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
4-chloro-6-ethoxy-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62858043
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 79865057
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651889
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
4-chloro-6-ethoxy-N-ethyl-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858407
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
2,4-dichloro-6-(2,2-dimethylpropoxy)-1,3,5-triazine
CID 58543777
4-chloro-6-ethoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 62858392) is 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(C)CC(C)(C)C)n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is VRYBTSBHTQEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-6-17-10-14-8(12)13-9(15-10)16(5)7-11(2,3)4/h6-7H2,1-5H3.
What are the key properties of 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).