4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine

C10H15ClN4O2 — CID 62858982

IUPAC4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCC2CCCO2)n1
InChIInChI=1S/C10H15ClN4O2/c1-16-10-14-8(11)13-9(15-10)12-5-4-7-3-2-6-17-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyJINUJZNTWBGUCP-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.51
Rot. Bonds5

About 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 62858982) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID62858982
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCC2CCCO2)n1
InChIInChI=1S/C10H15ClN4O2/c1-16-10-14-8(11)13-9(15-10)12-5-4-7-3-2-6-17-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyJINUJZNTWBGUCP-UHFFFAOYSA-N
XLogP1.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55125282
6-chloro-2-N,2-N-diethyl-4-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
CID 63869500
2-N,4-N-diethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799363
6-methoxy-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 63589868
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
6-methoxy-2-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3-diamine
CID 115320635
2-chloro-6-ethyl-N-[2-(oxolan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321269
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 62858982) is 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCC2CCCO2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is JINUJZNTWBGUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-16-10-14-8(11)13-9(15-10)12-5-4-7-3-2-6-17-7/h7H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).