4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine

C11H17ClN4 — CID 115414497

IUPAC4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
SMILESCN1CCN(C)C(Cc2nccc(Cl)n2)C1
InChIInChI=1S/C11H17ClN4/c1-15-5-6-16(2)9(8-15)7-11-13-4-3-10(12)14-11/h3-4,9H,5-8H2,1-2H3
InChIKeyZLPIXPVPABIMEW-UHFFFAOYSA-N
MW240.74 g/mol
LogP0.92
Rot. Bonds2

About 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine

4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine (PubChem CID 115414497) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
PubChem CID115414497
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
SMILESCN1CCN(C)C(Cc2nccc(Cl)n2)C1
InChIInChI=1S/C11H17ClN4/c1-15-5-6-16(2)9(8-15)7-11-13-4-3-10(12)14-11/h3-4,9H,5-8H2,1-2H3
InChIKeyZLPIXPVPABIMEW-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
CID 115415733
4-chloro-2-(cyclopentylmethyl)pyrimidine
CID 130646601
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 137011859
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
5-bromo-4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidine
CID 115414517
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine?
The IUPAC name of 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine (CID 115414497) is 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine is CN1CCN(C)C(Cc2nccc(Cl)n2)C1.
What is the InChIKey of 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine?
The InChIKey is ZLPIXPVPABIMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-15-5-6-16(2)9(8-15)7-11-13-4-3-10(12)14-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine?
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine has a molecular weight of 240.74 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine is sourced from PubChem (CID 115414497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).