2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine

C8H11ClN4O — CID 713803

IUPAC2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C8H11ClN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyCUQMXWIOLIGNPA-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.13
Rot. Bonds2

About 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 713803) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID713803
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C8H11ClN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyCUQMXWIOLIGNPA-UHFFFAOYSA-N
XLogP1.13
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

s-Triazine, 2,4-bis(dimethylamino)-6-(1-pyrrolidinyl)-
CID 202886
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
2-Methoxy-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 4544332
2-Chloro-4-di-n-propylamino-6-methoxy-sym-triazine
CID 62858664
4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 162403036
2-Methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
CID 162403950
2,4-Dichloro-6-(pyrrolidin-1-ium-1-ylidenemethoxy)-1,3,5-triazine
CID 175667800
4-chloro-6-methoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124689
4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864230
4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 713803) is 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine is COc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is CUQMXWIOLIGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 214.66 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 713803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).