5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine

C16H19N3O — CID 117231365

IUPAC5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
SMILESCc1ccccc1Oc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyWJVUDXBONAUYQJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds3

About 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine

5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine (PubChem CID 117231365) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
PubChem CID117231365
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine
SMILESCc1ccccc1Oc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3
InChIKeyWJVUDXBONAUYQJ-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxy-2-(propan-2-yl)phenoxy)pyrimidine-2,4-diamine
CID 16117816
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
5-(4-Isobutoxy-benzyl)-pyrimidine-2,4-diamine
CID 739795
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 44573245
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 44573247
2-N-(2-aminoethyl)-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 44573287
2-N-[2-(dimethylamino)ethyl]-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 44573290
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 44573327
1-[2-[[4-Amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
CID 44573328

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The IUPAC name of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine (CID 117231365) is 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine is Cc1ccccc1Oc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
The InChIKey is WJVUDXBONAUYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-2-3-5-15(12)20-14-10-18-16(19-11-14)13-6-8-17-9-7-13/h2-5,10-11,13,17H,6-9H2,1H3.
What are the key properties of 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine?
5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenoxy)-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 117231365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).