2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

C14H19N4S+ — CID 6936919

IUPAC2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
SMILESCc1ccsc1C[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N4S/c1-12-3-10-19-13(12)11-17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9,11H2,1H3/p+1
InChIKeyYWRMOABUHGIJPP-UHFFFAOYSA-O
MW275.40 g/mol
LogP0.75
Rot. Bonds3

About 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine (PubChem CID 6936919) has the molecular formula C14H19N4S+ and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
PubChem CID6936919
Molecular FormulaC14H19N4S+
Molecular Weight275.40 g/mol
Exact Mass275.13
IUPAC Name2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
SMILESCc1ccsc1C[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N4S/c1-12-3-10-19-13(12)11-17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9,11H2,1H3/p+1
InChIKeyYWRMOABUHGIJPP-UHFFFAOYSA-O
XLogP0.75
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

Thenyldiamine
CID 7066
Thenyldiamine Hydrochloride
CID 24180707
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
2-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-pyrimidine
CID 9949655
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
(4aR,7aR)-6-pyrimidin-2-yl-7a-thiophen-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine;dihydrochloride
CID 89823480
1-Pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
CID 763728
1-[(3-Methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 792508
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine (CID 6936919) is 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine is Cc1ccsc1C[NH+]1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine?
The InChIKey is YWRMOABUHGIJPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4S/c1-12-3-10-19-13(12)11-17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9,11H2,1H3/p+1.
What are the key properties of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine?
2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine is sourced from PubChem (CID 6936919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).