2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol

C13H16N4O2 — CID 11345983

IUPAC2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol
SMILESCOc1ccc(Nc2nccc(NCCO)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyLKBSMPFEKIBRGC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds6

About 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol

2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 11345983) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID11345983
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol
SMILESCOc1ccc(Nc2nccc(NCCO)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyLKBSMPFEKIBRGC-UHFFFAOYSA-N
XLogP1.63
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol (CID 11345983) is 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol is COc1ccc(Nc2nccc(NCCO)n2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is LKBSMPFEKIBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 260.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 11345983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).