2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine

C11H16ClN3O — CID 97162856

IUPAC2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
SMILESCc1cc(OC[C@H]2CCCCN2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-8-6-10(15-11(12)14-8)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyAGIDQLLAWFBXEK-SECBINFHSA-N
MW241.72 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine

2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine (PubChem CID 97162856) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
PubChem CID97162856
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
SMILESCc1cc(OC[C@H]2CCCCN2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-8-6-10(15-11(12)14-8)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyAGIDQLLAWFBXEK-SECBINFHSA-N
XLogP1.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643212
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106641392
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine (CID 97162856) is 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine is Cc1cc(OC[C@H]2CCCCN2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine?
The InChIKey is AGIDQLLAWFBXEK-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-10(15-11(12)14-8)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine?
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 97162856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).