5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine

C16H19ClN4 — CID 155942484

IUPAC5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)c1C
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-15(13(12)2)20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyDGDNQVKGGDMLPO-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine

5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 155942484) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
PubChem CID155942484
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)c1C
InChIInChI=1S/C16H19ClN4/c1-12-4-3-5-15(13(12)2)20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyDGDNQVKGGDMLPO-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
N-(4-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898350
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373
N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898349
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025
2-chloro-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 80610152
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
CID 19245616
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine (CID 155942484) is 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine is Cc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)c1C.
What is the InChIKey of 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is DGDNQVKGGDMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-4-3-5-15(13(12)2)20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine?
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155942484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).