4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine

C11H16ClN3O — CID 102963245

IUPAC4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
SMILESCOC1CCCN(c2ncnc(Cl)c2C)C1
InChIInChI=1S/C11H16ClN3O/c1-8-10(12)13-7-14-11(8)15-5-3-4-9(6-15)16-2/h7,9H,3-6H2,1-2H3
InChIKeyDXFNNTNOWRLVJD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine

4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine (PubChem CID 102963245) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
PubChem CID102963245
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
SMILESCOC1CCCN(c2ncnc(Cl)c2C)C1
InChIInChI=1S/C11H16ClN3O/c1-8-10(12)13-7-14-11(8)15-5-3-4-9(6-15)16-2/h7,9H,3-6H2,1-2H3
InChIKeyDXFNNTNOWRLVJD-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
CID 103536649
3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
CID 102963320
2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561001
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
CID 102955766
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine (CID 102963245) is 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine is COC1CCCN(c2ncnc(Cl)c2C)C1.
What is the InChIKey of 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine?
The InChIKey is DXFNNTNOWRLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-10(12)13-7-14-11(8)15-5-3-4-9(6-15)16-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine?
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 102963245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).