2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine

C15H19N5 — CID 116901957

IUPAC2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
SMILESCN1CCNCC1Cc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H19N5/c1-20-8-7-17-11-13(20)9-15-18-6-4-14(19-15)12-3-2-5-16-10-12/h2-6,10,13,17H,7-9,11H2,1H3
InChIKeyCJBYMTNPHQMOKU-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.98
Rot. Bonds3

About 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine

2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine (PubChem CID 116901957) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
PubChem CID116901957
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
SMILESCN1CCNCC1Cc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H19N5/c1-20-8-7-17-11-13(20)9-15-18-6-4-14(19-15)12-3-2-5-16-10-12/h2-6,10,13,17H,7-9,11H2,1H3
InChIKeyCJBYMTNPHQMOKU-UHFFFAOYSA-N
XLogP0.98
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
CID 116956967
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
3-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)butan-2-one
CID 157428636
2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
CID 116901944
2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
CID 94075304
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
CID 72894729
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360
2-(1-methylpiperazin-2-yl)-4-pyridin-2-ylpyrimidine
CID 116901846
1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881246
4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine
CID 117044303
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine (CID 116901957) is 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine is CN1CCNCC1Cc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine?
The InChIKey is CJBYMTNPHQMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-20-8-7-17-11-13(20)9-15-18-6-4-14(19-15)12-3-2-5-16-10-12/h2-6,10,13,17H,7-9,11H2,1H3.
What are the key properties of 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine?
2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 116901957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).