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

C9H15N3O — CID 61426077

IUPAC2-[propyl(pyrimidin-4-yl)amino]ethanol
SMILESCCCN(CCO)c1ccncn1
InChIInChI=1S/C9H15N3O/c1-2-5-12(6-7-13)9-3-4-10-8-11-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyMBHYBRLLOHOLMH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds5

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

2-[propyl(pyrimidin-4-yl)amino]ethanol (PubChem CID 61426077) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[propyl(pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[propyl(pyrimidin-4-yl)amino]ethanol
PubChem CID61426077
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[propyl(pyrimidin-4-yl)amino]ethanol
SMILESCCCN(CCO)c1ccncn1
InChIInChI=1S/C9H15N3O/c1-2-5-12(6-7-13)9-3-4-10-8-11-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyMBHYBRLLOHOLMH-UHFFFAOYSA-N
XLogP0.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-propylpyrimidin-4-amine
CID 63392396
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol
CID 91566746
2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
CID 71996386
2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
CID 61425083
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
CID 80808960
2-[(6-butan-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 126848676
2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 138670984
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80796692

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[propyl(pyrimidin-4-yl)amino]ethanol (CID 61426077) is 2-[propyl(pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[propyl(pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[propyl(pyrimidin-4-yl)amino]ethanol is CCCN(CCO)c1ccncn1.
What is the InChIKey of 2-[propyl(pyrimidin-4-yl)amino]ethanol?
The InChIKey is MBHYBRLLOHOLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-5-12(6-7-13)9-3-4-10-8-11-9/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 2-[propyl(pyrimidin-4-yl)amino]ethanol?
2-[propyl(pyrimidin-4-yl)amino]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 61426077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).