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

C15H19N5O — CID 80866417

IUPAC4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(N3CCCC3)n2)c(C)c1
InChIInChI=1S/C15H19N5O/c1-10-5-6-12(11(2)9-10)21-15-18-13(16)17-14(19-15)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyLNBMFMSWRUKFAN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.46
Rot. Bonds3

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

4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80866417) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80866417
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(N3CCCC3)n2)c(C)c1
InChIInChI=1S/C15H19N5O/c1-10-5-6-12(11(2)9-10)21-15-18-13(16)17-14(19-15)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyLNBMFMSWRUKFAN-UHFFFAOYSA-N
XLogP2.46
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993
2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63216963
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 81341218
4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80866604
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80870669
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80866417) is 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Oc2nc(N)nc(N3CCCC3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LNBMFMSWRUKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-5-6-12(11(2)9-10)21-15-18-13(16)17-14(19-15)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).