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

C14H15ClN4O2 — CID 62868780

IUPAC2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C14H15ClN4O2/c1-20-10-4-6-11(7-5-10)21-14-17-12(15)16-13(18-14)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3
InChIKeySYGLBCVGTMLPEI-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.93
Rot. Bonds4

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

2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62868780) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62868780
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C14H15ClN4O2/c1-20-10-4-6-11(7-5-10)21-14-17-12(15)16-13(18-14)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3
InChIKeySYGLBCVGTMLPEI-UHFFFAOYSA-N
XLogP2.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63216963
2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 64719973
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
1-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 55124643
[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910841
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 103536639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62868780) is 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is COc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is SYGLBCVGTMLPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-20-10-4-6-11(7-5-10)21-14-17-12(15)16-13(18-14)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 306.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).