4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H14ClN5O2 — CID 80865052

IUPAC4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14ClN5O2/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18)
InChIKeyVOHNPLZEHNEEMZ-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.74
Rot. Bonds3

About 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80865052) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80865052
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cccc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H14ClN5O2/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18)
InChIKeyVOHNPLZEHNEEMZ-UHFFFAOYSA-N
XLogP1.74
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80866604
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80870564
4-[[4-(3-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 56694179
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
4-(2,2-difluoroethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82008989
4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80873023
4-[(3-chlorophenoxy)methyl]-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 75538620
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-cyclohexyloxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80858635
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80865052) is 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2cccc(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is VOHNPLZEHNEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-9-2-1-3-10(8-9)21-13-17-11(15)16-12(18-13)19-4-6-20-7-5-19/h1-3,8H,4-7H2,(H2,15,16,17,18).
What are the key properties of 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 307.74 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).