4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine

C13H20Cl2N4 — CID 79658716

IUPAC4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2CN(C)CCN2C)nc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-4-5-9-11(14)16-13(17-12(9)15)10-8-18(2)6-7-19(10)3/h10H,4-8H2,1-3H3
InChIKeyBBCITDOQKUBDNB-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.65
Rot. Bonds3

About 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine

4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine (PubChem CID 79658716) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine
PubChem CID79658716
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2CN(C)CCN2C)nc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-4-5-9-11(14)16-13(17-12(9)15)10-8-18(2)6-7-19(10)3/h10H,4-8H2,1-3H3
InChIKeyBBCITDOQKUBDNB-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine (CID 79658716) is 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine is CCCc1c(Cl)nc(C2CN(C)CCN2C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine?
The InChIKey is BBCITDOQKUBDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-4-5-9-11(14)16-13(17-12(9)15)10-8-18(2)6-7-19(10)3/h10H,4-8H2,1-3H3.
What are the key properties of 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine?
4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine has a molecular weight of 303.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine is sourced from PubChem (CID 79658716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).