4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine

C13H21N3O — CID 97163202

IUPAC4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
SMILESCc1ccnc(OCCC[C@H]2CCCCN2)n1
InChIInChI=1S/C13H21N3O/c1-11-7-9-15-13(16-11)17-10-4-6-12-5-2-3-8-14-12/h7,9,12,14H,2-6,8,10H2,1H3/t12-/m1/s1
InChIKeySSJMPPOEDFJCAR-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds5

About 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine

4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine (PubChem CID 97163202) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
PubChem CID97163202
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
SMILESCc1ccnc(OCCC[C@H]2CCCCN2)n1
InChIInChI=1S/C13H21N3O/c1-11-7-9-15-13(16-11)17-10-4-6-12-5-2-3-8-14-12/h7,9,12,14H,2-6,8,10H2,1H3/t12-/m1/s1
InChIKeySSJMPPOEDFJCAR-GFCCVEGCSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 64585870
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
CID 97178348
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine?
The IUPAC name of 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine (CID 97163202) is 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine is Cc1ccnc(OCCC[C@H]2CCCCN2)n1.
What is the InChIKey of 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine?
The InChIKey is SSJMPPOEDFJCAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-7-9-15-13(16-11)17-10-4-6-12-5-2-3-8-14-12/h7,9,12,14H,2-6,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine?
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine is sourced from PubChem (CID 97163202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).