4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine

C16H19ClN4 — CID 63735915

IUPAC4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-15(17)18-13(2)19-16(12)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyJJORXAYQKYXVAF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine

4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 63735915) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID63735915
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-15(17)18-13(2)19-16(12)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyJJORXAYQKYXVAF-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
CID 55230084
1-(2,5-dimethyl-6-pyrazol-1-ylpyrimidin-4-yl)-4-pyridin-4-yl-1,4-diazepane
CID 166257438
6-methyl-5-(4-phenylpiperazin-1-yl)-2H-1,2,4-triazine-3-thione
CID 23412391
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63734924
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
CID 130548007
3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10430594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 63735915) is 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine is Cc1nc(Cl)c(C)c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is JJORXAYQKYXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-15(17)18-13(2)19-16(12)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 63735915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).