5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

C16H21N5O — CID 50955922

IUPAC5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCCc1cnc(C)nc1N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H21N5O/c1-3-13-11-19-12(2)20-15(13)21-9-5-14(6-10-21)22-16-17-7-4-8-18-16/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3
InChIKeyLEPYUDXDFYVDAQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.19
Rot. Bonds4

About 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 50955922) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID50955922
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCCc1cnc(C)nc1N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H21N5O/c1-3-13-11-19-12(2)20-15(13)21-9-5-14(6-10-21)22-16-17-7-4-8-18-16/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3
InChIKeyLEPYUDXDFYVDAQ-UHFFFAOYSA-N
XLogP2.19
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (CID 50955922) is 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is CCc1cnc(C)nc1N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is LEPYUDXDFYVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-13-11-19-12(2)20-15(13)21-9-5-14(6-10-21)22-16-17-7-4-8-18-16/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 50955922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).