4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine

C10H17ClN4O2 — CID 62858555

IUPAC4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(C)COC)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-17-10-14-8(11)13-9(15-10)12-5-7(2)6-16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyZXKPPBHCCUNWOL-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.62
Rot. Bonds7

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

4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine (PubChem CID 62858555) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
PubChem CID62858555
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(C)COC)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-17-10-14-8(11)13-9(15-10)12-5-7(2)6-16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyZXKPPBHCCUNWOL-UHFFFAOYSA-N
XLogP1.62
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405709
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine (CID 62858555) is 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC(C)COC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is ZXKPPBHCCUNWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-4-17-10-14-8(11)13-9(15-10)12-5-7(2)6-16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 260.72 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).