4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine

C14H19N5O — CID 51104263

IUPAC4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3ccnn3C)CC2)n1
InChIInChI=1S/C14H19N5O/c1-18-12(3-8-16-18)11-5-9-19(10-6-11)14-15-7-4-13(17-14)20-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyLLCJEZJYWZDQEE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds3

About 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine

4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 51104263) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID51104263
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3ccnn3C)CC2)n1
InChIInChI=1S/C14H19N5O/c1-18-12(3-8-16-18)11-5-9-19(10-6-11)14-15-7-4-13(17-14)20-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyLLCJEZJYWZDQEE-UHFFFAOYSA-N
XLogP1.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine (CID 51104263) is 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCC(c3ccnn3C)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is LLCJEZJYWZDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-12(3-8-16-18)11-5-9-19(10-6-11)14-15-7-4-13(17-14)20-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 51104263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).