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

C15H19N5 — CID 116901944

IUPAC2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
SMILESCN1CCNC(Cc2nccc(-c3ccncc3)n2)C1
InChIInChI=1S/C15H19N5/c1-20-9-8-17-13(11-20)10-15-18-7-4-14(19-15)12-2-5-16-6-3-12/h2-7,13,17H,8-11H2,1H3
InChIKeyIBWQSBCYVKUULQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.98
Rot. Bonds3

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

2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine (PubChem CID 116901944) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
PubChem CID116901944
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
SMILESCN1CCNC(Cc2nccc(-c3ccncc3)n2)C1
InChIInChI=1S/C15H19N5/c1-20-9-8-17-13(11-20)10-15-18-7-4-14(19-15)12-2-5-16-6-3-12/h2-7,13,17H,8-11H2,1H3
InChIKeyIBWQSBCYVKUULQ-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

1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
CID 116895618
2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
CID 116901957
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine?
The IUPAC name of 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine (CID 116901944) is 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine is CN1CCNC(Cc2nccc(-c3ccncc3)n2)C1.
What is the InChIKey of 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine?
The InChIKey is IBWQSBCYVKUULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-20-9-8-17-13(11-20)10-15-18-7-4-14(19-15)12-2-5-16-6-3-12/h2-7,13,17H,8-11H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine?
2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-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-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 116901944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).