4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine

C10H15ClN4 — CID 76837839

IUPAC4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CC(C)N1
InChIInChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3
InChIKeyOMQDWPWVDSLRDU-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.32
Rot. Bonds1

About 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine

4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine (PubChem CID 76837839) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
PubChem CID76837839
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CC(C)N1
InChIInChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3
InChIKeyOMQDWPWVDSLRDU-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine (CID 76837839) is 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine is CC1CN(c2cc(Cl)ncn2)CC(C)N1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The InChIKey is OMQDWPWVDSLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 76837839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).