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

C14H22Cl2N4 — CID 115414505

IUPAC4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CC2CN(C)CCN2C)nc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-4-5-11-13(15)17-12(18-14(11)16)8-10-9-19(2)6-7-20(10)3/h10H,4-9H2,1-3H3
InChIKeyPJGKOCQIVGPQAT-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.52
Rot. Bonds4

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

4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine (PubChem CID 115414505) has the molecular formula C14H22Cl2N4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine
PubChem CID115414505
Molecular FormulaC14H22Cl2N4
Molecular Weight317.26 g/mol
Exact Mass316.12
IUPAC Name4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CC2CN(C)CCN2C)nc1Cl
InChIInChI=1S/C14H22Cl2N4/c1-4-5-11-13(15)17-12(18-14(11)16)8-10-9-19(2)6-7-20(10)3/h10H,4-9H2,1-3H3
InChIKeyPJGKOCQIVGPQAT-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine (CID 115414505) is 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine is CCCc1c(Cl)nc(CC2CN(C)CCN2C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine?
The InChIKey is PJGKOCQIVGPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N4/c1-4-5-11-13(15)17-12(18-14(11)16)8-10-9-19(2)6-7-20(10)3/h10H,4-9H2,1-3H3.
What are the key properties of 4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine?
4,6-dichloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propylpyrimidine has a molecular weight of 317.26 g/mol, XLogP of 2.52, 4 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)methyl]-5-propylpyrimidine is sourced from PubChem (CID 115414505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).