4-chloro-6-piperidin-1-ylpyrimidin-5-amine

C9H13ClN4 — CID 1081836

IUPAC4-chloro-6-piperidin-1-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCCC1
InChIInChI=1S/C9H13ClN4/c10-8-7(11)9(13-6-12-8)14-4-2-1-3-5-14/h6H,1-5,11H2
InChIKeyNNOZJFDEMCXDNG-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.70
Rot. Bonds1

About 4-chloro-6-piperidin-1-ylpyrimidin-5-amine

4-chloro-6-piperidin-1-ylpyrimidin-5-amine (PubChem CID 1081836) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-ylpyrimidin-5-amine
PubChem CID1081836
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-chloro-6-piperidin-1-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCCC1
InChIInChI=1S/C9H13ClN4/c10-8-7(11)9(13-6-12-8)14-4-2-1-3-5-14/h6H,1-5,11H2
InChIKeyNNOZJFDEMCXDNG-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-piperidin-1-ylpyrimidin-5-amine (CID 1081836) is 4-chloro-6-piperidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-ylpyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCCCC1.
What is the InChIKey of 4-chloro-6-piperidin-1-ylpyrimidin-5-amine?
The InChIKey is NNOZJFDEMCXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-7(11)9(13-6-12-8)14-4-2-1-3-5-14/h6H,1-5,11H2.
What are the key properties of 4-chloro-6-piperidin-1-ylpyrimidin-5-amine?
4-chloro-6-piperidin-1-ylpyrimidin-5-amine has a molecular weight of 212.68 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 1081836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).