5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine

C10H14ClN3O — CID 105370446

IUPAC5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
SMILESClc1cncnc1OCC1CCCCN1
InChIInChI=1S/C10H14ClN3O/c11-9-5-12-7-14-10(9)15-6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyZQCKGHLPAKNIGF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.65
Rot. Bonds3

About 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine

5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine (PubChem CID 105370446) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
PubChem CID105370446
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
SMILESClc1cncnc1OCC1CCCCN1
InChIInChI=1S/C10H14ClN3O/c11-9-5-12-7-14-10(9)15-6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyZQCKGHLPAKNIGF-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
CID 116649393
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
CID 117230889
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine?
The IUPAC name of 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine (CID 105370446) is 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine?
The canonical SMILES for 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine is Clc1cncnc1OCC1CCCCN1.
What is the InChIKey of 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine?
The InChIKey is ZQCKGHLPAKNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-5-12-7-14-10(9)15-6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2.
What are the key properties of 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine?
5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 105370446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).