5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine

C16H20ClN5 — CID 135098911

IUPAC5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1cc(N2CCN(c3nc(C)ncc3Cl)CC2)cc(C)n1
InChIInChI=1S/C16H20ClN5/c1-11-8-14(9-12(2)19-11)21-4-6-22(7-5-21)16-15(17)10-18-13(3)20-16/h8-10H,4-7H2,1-3H3
InChIKeyIAGXOBLIQAJINS-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.78
Rot. Bonds2

About 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine

5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 135098911) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID135098911
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCc1cc(N2CCN(c3nc(C)ncc3Cl)CC2)cc(C)n1
InChIInChI=1S/C16H20ClN5/c1-11-8-14(9-12(2)19-11)21-4-6-22(7-5-21)16-15(17)10-18-13(3)20-16/h8-10H,4-7H2,1-3H3
InChIKeyIAGXOBLIQAJINS-UHFFFAOYSA-N
XLogP2.78
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 176692044
CID 89256954
CID 89256954
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
7-(5-chloro-2-methylpyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 137340601
1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135096791
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
1-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 137339200
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine (CID 135098911) is 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine is Cc1cc(N2CCN(c3nc(C)ncc3Cl)CC2)cc(C)n1.
What is the InChIKey of 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is IAGXOBLIQAJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-8-14(9-12(2)19-11)21-4-6-22(7-5-21)16-15(17)10-18-13(3)20-16/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine?
5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 317.82 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 135098911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).