4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine

C15H19N5 — CID 82169373

IUPAC4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCNCC2)c1C
InChIInChI=1S/C15H19N5/c1-11-12(2)18-14(13-4-3-5-17-10-13)19-15(11)20-8-6-16-7-9-20/h3-5,10,16H,6-9H2,1-2H3
InChIKeyJONCMHZERIBTNY-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.57
Rot. Bonds2

About 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine

4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine (PubChem CID 82169373) 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-3-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
PubChem CID82169373
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCNCC2)c1C
InChIInChI=1S/C15H19N5/c1-11-12(2)18-14(13-4-3-5-17-10-13)19-15(11)20-8-6-16-7-9-20/h3-5,10,16H,6-9H2,1-2H3
InChIKeyJONCMHZERIBTNY-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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Related Compounds

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
CID 82169369
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133318469
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine (CID 82169373) is 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine is Cc1nc(-c2cccnc2)nc(N2CCNCC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The InChIKey is JONCMHZERIBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-12(2)18-14(13-4-3-5-17-10-13)19-15(11)20-8-6-16-7-9-20/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-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-3-ylpyrimidine is sourced from PubChem (CID 82169373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).