4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H17N5O2 — CID 80866937

IUPAC4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Oc2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H17N5O2/c1-20-10-5-4-6-11(9-10)21-14-17-12(15)16-13(18-14)19-7-2-3-8-19/h4-6,9H,2-3,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyRUANJDDFSBYIMM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds4

About 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80866937) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80866937
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Oc2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H17N5O2/c1-20-10-5-4-6-11(9-10)21-14-17-12(15)16-13(18-14)19-7-2-3-8-19/h4-6,9H,2-3,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyRUANJDDFSBYIMM-UHFFFAOYSA-N
XLogP1.85
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
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-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80865052
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866417
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993
4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80870669
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910078
4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
CID 80837205
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 81341218
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80866937) is 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1cccc(Oc2nc(N)nc(N3CCCC3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RUANJDDFSBYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-20-10-5-4-6-11(9-10)21-14-17-12(15)16-13(18-14)19-7-2-3-8-19/h4-6,9H,2-3,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).