3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol

C10H17N3O2 — CID 114600819

IUPAC3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(OC)cn1
InChIInChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-10-11-6-9(15-2)7-12-10/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyZWXCQNQOQZYNJT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.06
Rot. Bonds6

About 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol

3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 114600819) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol
PubChem CID114600819
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(OC)cn1
InChIInChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-10-11-6-9(15-2)7-12-10/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyZWXCQNQOQZYNJT-UHFFFAOYSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol (CID 114600819) is 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol is CCC(CCO)Nc1ncc(OC)cn1.
What is the InChIKey of 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is ZWXCQNQOQZYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-10-11-6-9(15-2)7-12-10/h6-8,14H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol?
3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxypyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 114600819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).