3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol

C16H22N4O2 — CID 111464683

IUPAC3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCc1cc(N(CCO)CCCO)nc(-c2ccccn2)n1
InChIInChI=1S/C16H22N4O2/c1-2-13-12-15(20(9-11-22)8-5-10-21)19-16(18-13)14-6-3-4-7-17-14/h3-4,6-7,12,21-22H,2,5,8-11H2,1H3
InChIKeyXHVFWCFSIVEBDE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.28
Rot. Bonds8

About 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol

3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111464683) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111464683
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCc1cc(N(CCO)CCCO)nc(-c2ccccn2)n1
InChIInChI=1S/C16H22N4O2/c1-2-13-12-15(20(9-11-22)8-5-10-21)19-16(18-13)14-6-3-4-7-17-14/h3-4,6-7,12,21-22H,2,5,8-11H2,1H3
InChIKeyXHVFWCFSIVEBDE-UHFFFAOYSA-N
XLogP1.28
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol with MolForge

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Related Compounds

N-(2-cyclopropylethyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133398408
2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
CID 71996386
N-[2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethyl]acetamide
CID 86795811
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
6-(2-aminoethyl)-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51598656
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133291035
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 102557991
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride
CID 160501171
(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methanol
CID 62743365
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol (CID 111464683) is 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol is CCc1cc(N(CCO)CCCO)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is XHVFWCFSIVEBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-13-12-15(20(9-11-22)8-5-10-21)19-16(18-13)14-6-3-4-7-17-14/h3-4,6-7,12,21-22H,2,5,8-11H2,1H3.
What are the key properties of 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111464683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).