2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C14H15F3N4S — CID 2985000

IUPAC2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F3N4S/c1-20-4-6-21(7-5-20)13-18-10(11-3-2-8-22-11)9-12(19-13)14(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyQKGONMGEFYJKEZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 2985000) has the molecular formula C14H15F3N4S and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID2985000
Molecular FormulaC14H15F3N4S
Molecular Weight328.36 g/mol
Exact Mass328.10
IUPAC Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F3N4S/c1-20-4-6-21(7-5-20)13-18-10(11-3-2-8-22-11)9-12(19-13)14(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyQKGONMGEFYJKEZ-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
5-Methyl-2-(4-methylpiperazino)-4,6-bis(2-thienyl)pyrimidine
CID 10498496
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
CID 10712354
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
2-(4-Methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
CID 452522
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
2-Methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245258
2-Ethyl-4-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine
CID 9834888
N,N-dimethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 44449568
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
4-[4-(2-Thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 756560
[6-(Difluoromethyl)-4-(4-methylphenyl)pyrimidin-2-yl](2-thienylmethyl)amine
CID 2986321

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 2985000) is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is CN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QKGONMGEFYJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S/c1-20-4-6-21(7-5-20)13-18-10(11-3-2-8-22-11)9-12(19-13)14(15,16)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 328.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2985000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).