4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine

C8H11ClN4O2 — CID 102608799

IUPAC4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OC2COC2)n1
InChIInChI=1S/C8H11ClN4O2/c1-2-10-7-11-6(9)12-8(13-7)15-5-3-14-4-5/h5H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyFMLOYNFBMVXSEC-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.73
Rot. Bonds4

About 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine (PubChem CID 102608799) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine
PubChem CID102608799
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OC2COC2)n1
InChIInChI=1S/C8H11ClN4O2/c1-2-10-7-11-6(9)12-8(13-7)15-5-3-14-4-5/h5H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyFMLOYNFBMVXSEC-UHFFFAOYSA-N
XLogP0.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
N-ethyl-5-methyl-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 102608905
N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80877046
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine
CID 63557044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine (CID 102608799) is 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OC2COC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is FMLOYNFBMVXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-2-10-7-11-6(9)12-8(13-7)15-5-3-14-4-5/h5H,2-4H2,1H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 230.65 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 102608799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).