2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine

C15H23ClN4O — CID 62869087

IUPAC2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCC1CCCCC1Oc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H23ClN4O/c1-2-11-7-3-4-8-12(11)21-15-18-13(16)17-14(19-15)20-9-5-6-10-20/h11-12H,2-10H2,1H3
InChIKeyICDPDSNBIWRWMP-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62869087) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62869087
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCC1CCCCC1Oc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H23ClN4O/c1-2-11-7-3-4-8-12(11)21-15-18-13(16)17-14(19-15)20-9-5-6-10-20/h11-12H,2-10H2,1H3
InChIKeyICDPDSNBIWRWMP-UHFFFAOYSA-N
XLogP3.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.47
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)azepane
CID 62869524
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
4-(2-ethylcyclohexyl)oxy-6-methoxy-1,3,5-triazin-2-amine
CID 80858256
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 103536639
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405
2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
CID 63446435
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62869087) is 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine is CCC1CCCCC1Oc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is ICDPDSNBIWRWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-11-7-3-4-8-12(11)21-15-18-13(16)17-14(19-15)20-9-5-6-10-20/h11-12H,2-10H2,1H3.
What are the key properties of 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 310.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62869087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).