4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine

C11H16ClN3O — CID 86321830

IUPAC4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
SMILESClc1cc(OCC[C@@H]2CCCCN2)ncn1
InChIInChI=1S/C11H16ClN3O/c12-10-7-11(15-8-14-10)16-6-4-9-3-1-2-5-13-9/h7-9,13H,1-6H2/t9-/m0/s1
InChIKeyRCAVWJYZDOKXGK-VIFPVBQESA-N
MW241.72 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine

4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine (PubChem CID 86321830) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
PubChem CID86321830
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
SMILESClc1cc(OCC[C@@H]2CCCCN2)ncn1
InChIInChI=1S/C11H16ClN3O/c12-10-7-11(15-8-14-10)16-6-4-9-3-1-2-5-13-9/h7-9,13H,1-6H2/t9-/m0/s1
InChIKeyRCAVWJYZDOKXGK-VIFPVBQESA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860
3-(2-piperidin-2-ylethoxy)pyridazine
CID 62483689
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride
CID 71639859
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
CID 97163561
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine?
The IUPAC name of 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine (CID 86321830) is 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine.
What is the SMILES notation for 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine?
The canonical SMILES for 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine is Clc1cc(OCC[C@@H]2CCCCN2)ncn1.
What is the InChIKey of 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine?
The InChIKey is RCAVWJYZDOKXGK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-7-11(15-8-14-10)16-6-4-9-3-1-2-5-13-9/h7-9,13H,1-6H2/t9-/m0/s1.
What are the key properties of 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine?
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine is sourced from PubChem (CID 86321830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).