4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine

C11H16ClN3O — CID 62319950

IUPAC4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
SMILESCOCc1cc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-8-9-7-10(12)14-11(13-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3
InChIKeyPWWYRQDACQWDET-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine

4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine (PubChem CID 62319950) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
PubChem CID62319950
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
SMILESCOCc1cc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-8-9-7-10(12)14-11(13-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3
InChIKeyPWWYRQDACQWDET-UHFFFAOYSA-N
XLogP2.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
CID 94674091
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
4-ethyl-6-(2-methoxyethyl)-2-piperidin-1-ylpyrimidine
CID 72847818
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
CID 55158641
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428532
4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine (CID 62319950) is 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine is COCc1cc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine?
The InChIKey is PWWYRQDACQWDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-8-9-7-10(12)14-11(13-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine?
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 62319950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).