4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine

C12H16N6 — CID 106758887

IUPAC4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
SMILESCn1nccc1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C12H16N6/c1-17-11(3-5-15-17)10-2-4-14-12(16-10)18-8-6-13-7-9-18/h2-5,13H,6-9H2,1H3
InChIKeyKJBRWMSRXDUIPA-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.29
Rot. Bonds2

About 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine

4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine (PubChem CID 106758887) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
PubChem CID106758887
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
SMILESCn1nccc1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C12H16N6/c1-17-11(3-5-15-17)10-2-4-14-12(16-10)18-8-6-13-7-9-18/h2-5,13H,6-9H2,1H3
InChIKeyKJBRWMSRXDUIPA-UHFFFAOYSA-N
XLogP0.29
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine (CID 106758887) is 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine is Cn1nccc1-c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine?
The InChIKey is KJBRWMSRXDUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-17-11(3-5-15-17)10-2-4-14-12(16-10)18-8-6-13-7-9-18/h2-5,13H,6-9H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine?
4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine has a molecular weight of 244.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 106758887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).