4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

C15H21N5O — CID 56778091

IUPAC4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H21N5O/c1-10-14(11(2)19(3)18-10)12-6-5-9-20(12)15-16-8-7-13(17-15)21-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyUCPLHEGGSAJRIQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.18
Rot. Bonds3

About 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 56778091) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID56778091
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H21N5O/c1-10-14(11(2)19(3)18-10)12-6-5-9-20(12)15-16-8-7-13(17-15)21-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyUCPLHEGGSAJRIQ-UHFFFAOYSA-N
XLogP2.18
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (CID 56778091) is 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is COc1ccnc(N2CCCC2c2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is UCPLHEGGSAJRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-14(11(2)19(3)18-10)12-6-5-9-20(12)15-16-8-7-13(17-15)21-4/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 287.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 56778091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).