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

C11H16ClN3O — CID 97163927

IUPAC2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
SMILESClc1nccc(COC[C@@H]2CCCCN2)n1
InChIInChI=1S/C11H16ClN3O/c12-11-14-6-4-10(15-11)8-16-7-9-3-1-2-5-13-9/h4,6,9,13H,1-3,5,7-8H2/t9-/m0/s1
InChIKeyMPNUEDXRGPXLQH-VIFPVBQESA-N
MW241.72 g/mol
LogP1.79
Rot. Bonds4

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

2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine (PubChem CID 97163927) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
PubChem CID97163927
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
SMILESClc1nccc(COC[C@@H]2CCCCN2)n1
InChIInChI=1S/C11H16ClN3O/c12-11-14-6-4-10(15-11)8-16-7-9-3-1-2-5-13-9/h4,6,9,13H,1-3,5,7-8H2/t9-/m0/s1
InChIKeyMPNUEDXRGPXLQH-VIFPVBQESA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519
2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
CID 97163934
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
8-(piperidin-2-ylmethoxymethyl)quinoline
CID 62341251
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine?
The IUPAC name of 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine (CID 97163927) is 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine is Clc1nccc(COC[C@@H]2CCCCN2)n1.
What is the InChIKey of 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine?
The InChIKey is MPNUEDXRGPXLQH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-14-6-4-10(15-11)8-16-7-9-3-1-2-5-13-9/h4,6,9,13H,1-3,5,7-8H2/t9-/m0/s1.
What are the key properties of 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine?
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine is sourced from PubChem (CID 97163927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).