4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride

C12H19Cl2N3O — CID 71639859

IUPAC4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride
SMILESCl.Clc1cc(OCCCC2CCNCC2)ncn1
InChIInChI=1S/C12H18ClN3O.ClH/c13-11-8-12(16-9-15-11)17-7-1-2-10-3-5-14-6-4-10;/h8-10,14H,1-7H2;1H
InChIKeyRCELSHXIOCDPND-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride

4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride (PubChem CID 71639859) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride
PubChem CID71639859
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride
SMILESCl.Clc1cc(OCCCC2CCNCC2)ncn1
InChIInChI=1S/C12H18ClN3O.ClH/c13-11-8-12(16-9-15-11)17-7-1-2-10-3-5-14-6-4-10;/h8-10,14H,1-7H2;1H
InChIKeyRCELSHXIOCDPND-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride?
The IUPAC name of 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride (CID 71639859) is 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride is Cl.Clc1cc(OCCCC2CCNCC2)ncn1.
What is the InChIKey of 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride?
The InChIKey is RCELSHXIOCDPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O.ClH/c13-11-8-12(16-9-15-11)17-7-1-2-10-3-5-14-6-4-10;/h8-10,14H,1-7H2;1H.
What are the key properties of 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride?
4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 71639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).