5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

C15H18ClN5 — CID 43811143

IUPAC5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C15H18ClN5/c1-11-13(16)15(21-9-7-20(2)8-10-21)19-14(18-11)12-5-3-4-6-17-12/h3-6H,7-10H2,1-2H3
InChIKeyMNDJYNJQMIFILZ-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 43811143) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID43811143
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C15H18ClN5/c1-11-13(16)15(21-9-7-20(2)8-10-21)19-14(18-11)12-5-3-4-6-17-12/h3-6H,7-10H2,1-2H3
InChIKeyMNDJYNJQMIFILZ-UHFFFAOYSA-N
XLogP2.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (CID 43811143) is 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCN(C)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is MNDJYNJQMIFILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-11-13(16)15(21-9-7-20(2)8-10-21)19-14(18-11)12-5-3-4-6-17-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 303.80 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 43811143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).