4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine

C12H19ClN4O — CID 63022907

IUPAC4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
SMILESCCCOC1CCCN(c2ncnc(Cl)c2N)C1
InChIInChI=1S/C12H19ClN4O/c1-2-6-18-9-4-3-5-17(7-9)12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3
InChIKeyOLWFBQFOPXMJLL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.11
Rot. Bonds4

About 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine

4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine (PubChem CID 63022907) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
PubChem CID63022907
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
SMILESCCCOC1CCCN(c2ncnc(Cl)c2N)C1
InChIInChI=1S/C12H19ClN4O/c1-2-6-18-9-4-3-5-17(7-9)12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3
InChIKeyOLWFBQFOPXMJLL-UHFFFAOYSA-N
XLogP2.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine (CID 63022907) is 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine is CCCOC1CCCN(c2ncnc(Cl)c2N)C1.
What is the InChIKey of 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is OLWFBQFOPXMJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-2-6-18-9-4-3-5-17(7-9)12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3.
What are the key properties of 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine?
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 270.76 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63022907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).