3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol

C11H19N3O2 — CID 112638477

IUPAC3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
SMILESCCCOc1ccnc(NC(C)CCO)n1
InChIInChI=1S/C11H19N3O2/c1-3-8-16-10-4-6-12-11(14-10)13-9(2)5-7-15/h4,6,9,15H,3,5,7-8H2,1-2H3,(H,12,13,14)
InChIKeyOFLGIKWOSKAFSF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds7

About 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol

3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol (PubChem CID 112638477) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
PubChem CID112638477
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
SMILESCCCOc1ccnc(NC(C)CCO)n1
InChIInChI=1S/C11H19N3O2/c1-3-8-16-10-4-6-12-11(14-10)13-9(2)5-7-15/h4,6,9,15H,3,5,7-8H2,1-2H3,(H,12,13,14)
InChIKeyOFLGIKWOSKAFSF-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
N-(1-chloro-4-methylpentan-3-yl)-4-propoxypyrimidin-2-amine
CID 106354270
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol (CID 112638477) is 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol is CCCOc1ccnc(NC(C)CCO)n1.
What is the InChIKey of 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is OFLGIKWOSKAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-8-16-10-4-6-12-11(14-10)13-9(2)5-7-15/h4,6,9,15H,3,5,7-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol?
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 112638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).