2-[2-(propylamino)pyrimidin-4-yl]oxyethanol

C9H15N3O2 — CID 80860272

IUPAC2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
SMILESCCCNc1nccc(OCCO)n1
InChIInChI=1S/C9H15N3O2/c1-2-4-10-9-11-5-3-8(12-9)14-7-6-13/h3,5,13H,2,4,6-7H2,1H3,(H,10,11,12)
InChIKeyLOOAIFQIYLIPFA-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.67
Rot. Bonds6

About 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol

2-[2-(propylamino)pyrimidin-4-yl]oxyethanol (PubChem CID 80860272) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
PubChem CID80860272
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
SMILESCCCNc1nccc(OCCO)n1
InChIInChI=1S/C9H15N3O2/c1-2-4-10-9-11-5-3-8(12-9)14-7-6-13/h3,5,13H,2,4,6-7H2,1H3,(H,10,11,12)
InChIKeyLOOAIFQIYLIPFA-UHFFFAOYSA-N
XLogP0.67
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
CID 80859119
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol (CID 80860272) is 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol is CCCNc1nccc(OCCO)n1.
What is the InChIKey of 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol?
The InChIKey is LOOAIFQIYLIPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-10-9-11-5-3-8(12-9)14-7-6-13/h3,5,13H,2,4,6-7H2,1H3,(H,10,11,12).
What are the key properties of 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol?
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol has a molecular weight of 197.24 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 80860272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).