4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine

C15H19N5 — CID 82169374

IUPAC4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)nc(N2CCNCC2)c1C
InChIInChI=1S/C15H19N5/c1-11-12(2)18-14(13-3-5-16-6-4-13)19-15(11)20-9-7-17-8-10-20/h3-6,17H,7-10H2,1-2H3
InChIKeyCTOQWLXAWMGQLW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.57
Rot. Bonds2

About 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine

4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine (PubChem CID 82169374) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
PubChem CID82169374
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)nc(N2CCNCC2)c1C
InChIInChI=1S/C15H19N5/c1-11-12(2)18-14(13-3-5-16-6-4-13)19-15(11)20-9-7-17-8-10-20/h3-6,17H,7-10H2,1-2H3
InChIKeyCTOQWLXAWMGQLW-UHFFFAOYSA-N
XLogP1.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine (CID 82169374) is 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine is Cc1nc(-c2ccncc2)nc(N2CCNCC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is CTOQWLXAWMGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-12(2)18-14(13-3-5-16-6-4-13)19-15(11)20-9-7-17-8-10-20/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine?
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 82169374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).