2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol

C13H21N3O — CID 133461288

IUPAC2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol
SMILESCCc1cc(N(CCO)CC2CC2)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-12-8-13(15-10(2)14-12)16(6-7-17)9-11-4-5-11/h8,11,17H,3-7,9H2,1-2H3
InChIKeyZAIMRNCKBDDYLP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds6

About 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol

2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 133461288) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol
PubChem CID133461288
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol
SMILESCCc1cc(N(CCO)CC2CC2)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-12-8-13(15-10(2)14-12)16(6-7-17)9-11-4-5-11/h8,11,17H,3-7,9H2,1-2H3
InChIKeyZAIMRNCKBDDYLP-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol (CID 133461288) is 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol is CCc1cc(N(CCO)CC2CC2)nc(C)n1.
What is the InChIKey of 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is ZAIMRNCKBDDYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12-8-13(15-10(2)14-12)16(6-7-17)9-11-4-5-11/h8,11,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol?
2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 133461288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).