4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine

C15H19N5 — CID 116895618

IUPAC4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
SMILESCc1cc(-c2ccncc2)nc(C2CN(C)CCN2)n1
InChIInChI=1S/C15H19N5/c1-11-9-13(12-3-5-16-6-4-12)19-15(18-11)14-10-20(2)8-7-17-14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyNHIZWMJNMZQDJD-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.42
Rot. Bonds2

About 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine

4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine (PubChem CID 116895618) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
PubChem CID116895618
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
SMILESCc1cc(-c2ccncc2)nc(C2CN(C)CCN2)n1
InChIInChI=1S/C15H19N5/c1-11-9-13(12-3-5-16-6-4-12)19-15(18-11)14-10-20(2)8-7-17-14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyNHIZWMJNMZQDJD-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
CID 116901944
4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine
CID 116901866
4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988923
1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
CID 68596700
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
2-[3-(2-methoxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11166753
8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
CID 116985884
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
CID 116966532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine (CID 116895618) is 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine is Cc1cc(-c2ccncc2)nc(C2CN(C)CCN2)n1.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine?
The InChIKey is NHIZWMJNMZQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-9-13(12-3-5-16-6-4-12)19-15(18-11)14-10-20(2)8-7-17-14/h3-6,9,14,17H,7-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine?
4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine has a molecular weight of 269.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 116895618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).