4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

C12H16ClF3N4 — CID 106766889

IUPAC4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCCN1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16ClF3N4/c1-2-3-19-4-6-20(7-5-19)10-8-9(13)17-11(18-10)12(14,15)16/h8H,2-7H2,1H3
InChIKeyDKUWHSGZQQKFNB-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766889) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106766889
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCCN1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16ClF3N4/c1-2-3-19-4-6-20(7-5-19)10-8-9(13)17-11(18-10)12(14,15)16/h8H,2-7H2,1H3
InChIKeyDKUWHSGZQQKFNB-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106766889) is 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is CCCN1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is DKUWHSGZQQKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-2-3-19-4-6-20(7-5-19)10-8-9(13)17-11(18-10)12(14,15)16/h8H,2-7H2,1H3.
What are the key properties of 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 308.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-propylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).